SCHEMBL871404

SCHEMBL871404

Nc1ccc(N(CCO)CCO)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HCAR3 P49019 4/20 0.49
NSD2 O96028 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
TSHR P16473 3/20 0.47
RECQL P46063 1/20 0.47
ALDH3A1 P30838 2/20 0.47
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
VCAM1 P19320 1/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL29410423 1.00 ALOX15 (0.51) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL11335089 0.85 ALDH1A1 (0.68) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL7809597 0.83 ALDH1A1 (0.52) MAPK1ALDH1A1TDP1KDM4EHCAR3
SCHEMBL6574654 0.82 ALDH1A1 (0.42) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL9769601 0.81 ALDH1A1 (0.54) MAPK1ALDH1A1TDP1CYP3A4KDM4E
SCHEMBL8341967 0.81 ALDH1A1 (0.50) MAPK1L3MBTL1ALDH1A1TDP1KDM4E
SCHEMBL200757 0.81 ALDH1A1 (0.50) MAPK1L3MBTL1ALDH1A1TDP1CYP3A4
SCHEMBL28718121 0.81 ALDH3A1 (0.63) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL6572068 0.78 ALDH1A1 (0.52) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL3862962 0.77 NSD2 (0.49) HSD17B10ALDH1A1TDP1KDM4EHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080189876-A1 Multistep hair color revitalizing kit and associated methods PROCTER & GAMBLE COMPANY, THE 2008-08-14 US claimed
EP-4652983-A1 COSMETIC PRODUCT FOR HAIR BLEACHING OR HAIR DYEING Kao Corporation (JP) 2025-11-26 EP disclosed
CN-118302150-A Method for treating keratin materials or fibres for head gear articles 花王株式会社 2024-07-05 CN disclosed
CN-118302149-A Method for treating keratin materials or fibres for head gear articles 花王株式会社 2024-07-05 CN disclosed
EP-3685816-B1 POWDERY COMPOSITION WITH REDUCED AMMONIA OCCURRENCE AND AMMONIA MALODOR KAO CORP (JP) 2024-05-29 EP disclosed
WO-2023100810-A1 METHOD FOR TREATING KERATIN SUBSTANCE OR FIBER FOR HEAD DECORATION PRODUCTS 花王株式会社 2023-06-08 WO disclosed
WO-2023100812-A1 METHOD FOR TREATING KERATIN SUBSTANCE OR FIBER FOR HEAD ORNAMENTAL PRODUCT 花王株式会社 2023-06-08 WO disclosed
WO-2022264823-A1 FIRST AGENT COMPOSITION FOR HAIR DYEING OR HAIR BLEACHING HENKEL AG & CO. KGAA (DE) 2022-12-22 WO disclosed
US-11497687-B2 Chromic compositions TheUnseen Limited (GB) 2022-11-15 US disclosed
EP-3833316-B1 LIQUID CRYSTAL HAIR DYE COMPOSITION, USE AND METHOD THEUNSEEN LTD (GB) 2022-11-02 EP disclosed
WO-2003029359-A1 CATIONIC REACTIVE DYES CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2003-04-10 WO disclosed
US-6521761-B2 For coloring hair CLAIROL INCORPORATED 2003-02-18 US disclosed
US-6461391-B1 Primary intermediates for oxidative coloration of hair CLAIROL INCORPORATED 2002-10-08 US disclosed
US-20020106341-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR WELLA OPERATIONS US, LLC 2002-08-08 US disclosed
WO-2002045675-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G - CLAIROL, INC. (US) 2002-06-13 WO disclosed
EP-1203141-A1 LINKAGE OF AGENTS TO TISSUE Pericor Science, Inc. (US) 2002-05-08 EP disclosed
WO-2002007707-A2 LINKAGE OF AGENTS USING MICROPARTICLES PERICOR SCIENCE, INC. (US) 2002-01-31 WO disclosed
WO-2001006829-A2 LINKAGE OF AGENTS TO TISSUE PERICOR SCIENCE, INC. (US) 2001-02-01 WO disclosed
US-RE30798-E BY REACTING 4-FLUORO-3-NITROANILINES WITH AMMONIA OR A PRIMARY OR SECONDARY AMINE CLAIROL INCORPORATED (US) 1981-11-17 US disclosed
US-3944612-A HAIR DYE INTERMEDIATES CLAIROL INCORPORATED (US) 1976-03-16 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 (1 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-20020106341-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR CYC1, MT-CO1, PYCR1 ALOX15 1026/4885MAPK1 423/4885HSD17B10 242/4885

“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.