SCHEMBL23456361

SCHEMBL23456361

O=[N+]([O-])c1cc(NCCO)c(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1cc(O)ccc1NCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 2/20 0.52
KMT2A Q03164 4/20 0.48
RAB9A P51151 2/20 0.46
MAPT P10636 7/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23789 0.89 ALDH1A1 (0.53) PKMALDH1A1TDP1TSHRKMT2A
SCHEMBL4553218 0.89 ALDH1A1 (0.54) PKMALDH1A1TDP1TSHRKMT2A
SCHEMBL29410422 0.88 ALDH1A1 (0.63) PKMALDH1A1TDP1TSHRKMT2A
SCHEMBL24055 0.88 ALDH1A1 (0.63) PKMALDH1A1TDP1TSHRKMT2A
Bromide SCHEMBL28440810 0.87 ALDH1A1 (0.62) PKMALDH1A1TDP1TSHRKMT2A
3-Nitro-Phenol SCHEMBL7120003 0.84 PKM (0.67) PKMALDH1A1TDP1TSHRKMT2A
Methoxymethane SCHEMBL7085872 0.83 ALDH1A1 (0.58) PKMALDH1A1TDP1TSHRKMT2A
SCHEMBL563763 0.82 PKM (0.67) PKMALDH1A1TDP1TSHRKMT2A
SCHEMBL6001854 0.82 TDP1 (0.56) PKMALDH1A1TDP1TSHRKMT2A
SCHEMBL10601066 0.81 ALDH1A1 (0.51) PKMALDH1A1TDP1KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029808-B2 Kit and method for dyeing keratinous material by means of aminosilicone and a chromophoric compound HENKEL AG & CO. KGAA (DE) 2024-07-09 US disclosed
US-20240207160-A1 PROCESS OF COLORING KERATINOUS MATERIAL COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, AN EFFECT PIGMENT, AND A SEALING REAGENT VI HENKEL AG & CO. KGAA (DE) 2024-06-27 US disclosed
US-11992546-B2 Process of coloring keratinous material comprising the use of an organosilicon compound, an effect pigment, and a sealing reagent vi HENKEL AG & CO. KGAA (US) 2024-05-28 US disclosed
US-11957779-B2 Agent for dyeing keratinous material, containing aminosilicone, pigment and polysaccharide HENKEL AG & CO. KGAA (US) 2024-04-16 US disclosed
US-11957771-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, a coated effect pigment and a sealing reagent I HENKEL AG & CO. KGAA (US) 2024-04-16 US disclosed
US-11938211-B2 Process for coloring keratinous material comprising the use of an organosilicon compound, an effect pigment, a further coloring compound and a film-forming polymer I HENKEL AG & CO. KGAA (DE) 2024-03-26 US disclosed
US-11918665-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, a colored effect pigment and a sealing reagent I HENKEL AG & CO. KGAA (US) 2024-03-05 US disclosed
US-20240041741-A1 COSMETIC COMPOSITION OBTAINED BY MIXING TWO SILANE BLENDS HENKEL AG & CO. KGAA (DE) 2024-02-08 US disclosed
US-11883522-B2 Agent for dyeing keratinous material, containing aminosilicone, a chromophoric compound and phosphorous-containing surfactant HENKEL AG & CO. KGAA (DE) 2024-01-30 US disclosed
US-11878071-B2 Product for dyeing keratinous material, containing aminosilicone, a chromophoric compound, preservative and a fatty constituent HENKEL AG & CO. KGAA (DE) 2024-01-23 US disclosed
US-20220054395-A1 METHOD FOR DYEING KERATINOUS MATERIAL, CONTAINING DYE AND AN ACIDIC POST-TREATMENT AGENT HENKEL AG & CO. KGAA (DE) 2022-02-24 US disclosed
US-20220000749-A1 METHOD FOR TREATING HAIR, COMPRISING THE APPLICATION OF A FIRST AGENT (A) HAVING A SILANE AND A CHROMOPHORIC COMPOUND, AND A SECOND AGENT (B) HAVING A FILM-FORMING POLYMER HENKEL AG & CO. KGAA (DE) 2022-01-06 US disclosed
US-20220000751-A1 METHOD FOR PREPARING AND USING HAIR TREATMENT AGENTS WITH ORGANIC C1-C6-ALKOXY-SILANES HENKEL AG & CO. KGAA (DE) 2022-01-06 US disclosed
US-20220000750-A1 THE PROCESS FOR THE PREPARATION AND USE OF HAIR TREATMENT COMPOSITIONS CONTAINING ORGANIC C1-C6 ALKOXY SILANES HENKEL AG & CO. KGAA (DE) 2022-01-06 US disclosed
US-20210401712-A1 METHOD FOR TREATING HAIR, COMPRISING THE APPLICATION OF AN ORGANIC SILICON COMPOUND, AN ALKALISING AGENT AND A FILM-FORMING POLYMER HENKEL AG & CO. KGAA (DE) 2021-12-30 US disclosed
US-20210212916-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, AN OLIGOALKYLSILOXANE AND A DYEING COMPOUND HENKEL AG & CO. KGAA (DE) 2021-07-15 US disclosed
US-20210196616-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, A DYEING COMPOUND AND A SILICON OIL HENKEL AG & CO. KGAA (DE) 2021-07-01 US disclosed
US-20210186841-A1 HAIR DYE COMPOSITION CONTAINING AT LEAST ONE ORGANIC SILICON COMPOUND, A DIRECT DYE AND A FILM FORMING HYDROPHOBIC POLYMER HENKEL AG & CO. KGAA (DE) 2021-06-24 US disclosed
US-20210169755-A1 DUST REDUCED AMMONIUM FREE BLONDING POWDER HENKEL AG & CO. KGAA (DE) 2021-06-10 US disclosed
US-20210169762-A1 AMMONIA-FREE BLEACHING KIT FOR GENTLE BRIGHTENING OF KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2021-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (18 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11992546-B2 Process of coloring keratinous material comprising the use of an organosilicon compound, an effect pigment, and a sealing reagent vi KRT18, VIM, MSH6 PKM 1737/4885ALDH1A1 653/4885TDP1 3840/4885
US-20240041741-A1 COSMETIC COMPOSITION OBTAINED BY MIXING TWO SILANE BLENDS KRT18, ALG3, H1-0 PKM 2652/4885ALDH1A1 547/4885TDP1 3507/4885
US-20220054395-A1 METHOD FOR DYEING KERATINOUS MATERIAL, CONTAINING DYE AND AN ACIDIC POST-TREATMENT AGENT KRT18, CUTA, MARK1 PKM 694/4885ALDH1A1 581/4885TDP1 3063/4885
US-20240207160-A1 PROCESS OF COLORING KERATINOUS MATERIAL COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, AN EFFECT PIGMENT, AND A SEALING REAGENT VI KRT18, GP6, MSH6 PKM 1262/4885ALDH1A1 826/4885TDP1 3734/4885
US-12029808-B2 Kit and method for dyeing keratinous material by means of aminosilicone and a chromophoric compound MARK1, KRT18, KIT PKM 813/4885ALDH1A1 1854/4885TDP1 2841/4885
US-20210196616-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, A DYEING COMPOUND AND A SILICON OIL KRT18, MKI67, DSG1 PKM 788/4885ALDH1A1 2126/4885TDP1 4127/4885
US-20220000749-A1 METHOD FOR TREATING HAIR, COMPRISING THE APPLICATION OF A FIRST AGENT (A) HAVING A SILANE AND A CHROMOPHORIC COMPOUND, AND A SECOND AGENT (B) HAVING A FILM-FORMING POLYMER KRT18, CUTA, INHA PKM 3232/4885ALDH1A1 367/4885TDP1 2803/4885
US-11938211-B2 Process for coloring keratinous material comprising the use of an organosilicon compound, an effect pigment, a further coloring compound and a film-forming polymer I KRT18, PKN1, CUTA PKM 479/4885ALDH1A1 712/4885TDP1 2573/4885
US-20210212916-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, AN OLIGOALKYLSILOXANE AND A DYEING COMPOUND KRT18, MKI67, PCNA PKM 1517/4885ALDH1A1 384/4885TDP1 2995/4885
US-20220000750-A1 THE PROCESS FOR THE PREPARATION AND USE OF HAIR TREATMENT COMPOSITIONS CONTAINING ORGANIC C1-C6 ALKOXY SILANES KRT18, AKR1C3, C9 PKM 1458/4885ALDH1A1 37/4885TDP1 3953/4885
US-11918665-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, a colored effect pigment and a sealing reagent I KRT18, EPCAM, DSG1 PKM 1830/4885ALDH1A1 259/4885TDP1 3535/4885
US-11878071-B2 Product for dyeing keratinous material, containing aminosilicone, a chromophoric compound, preservative and a fatty constituent FABP4, APMAP, KRT18 PKM 149/4885ALDH1A1 1508/4885TDP1 4188/4885
US-11957771-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, a coated effect pigment and a sealing reagent I KRT18, EPCAM, JUP PKM 1207/4885ALDH1A1 225/4885TDP1 3462/4885
US-20220000751-A1 METHOD FOR PREPARING AND USING HAIR TREATMENT AGENTS WITH ORGANIC C1-C6-ALKOXY-SILANES POLR1C, ADH1C, AKR1C3 PKM 2642/4885ALDH1A1 34/4885TDP1 3782/4885
US-20210186841-A1 HAIR DYE COMPOSITION CONTAINING AT LEAST ONE ORGANIC SILICON COMPOUND, A DIRECT DYE AND A FILM FORMING HYDROPHOBIC POLYMER KRT18, DSG1, CUTA PKM 1651/4885ALDH1A1 354/4885TDP1 2947/4885
US-20210401712-A1 METHOD FOR TREATING HAIR, COMPRISING THE APPLICATION OF AN ORGANIC SILICON COMPOUND, AN ALKALISING AGENT AND A FILM-FORMING POLYMER KRT18, INHA, BUB1 PKM 2585/4885ALDH1A1 1080/4885TDP1 2332/4885
US-11883522-B2 Agent for dyeing keratinous material, containing aminosilicone, a chromophoric compound and phosphorous-containing surfactant KRT18, PHOSPHO1, PHYKPL PKM 951/4885ALDH1A1 3908/4885TDP1 2780/4885
US-11957779-B2 Agent for dyeing keratinous material, containing aminosilicone, pigment and polysaccharide KRT18, ALG3, ARSA PKM 793/4885ALDH1A1 2035/4885TDP1 3257/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.