SCHEMBL109334

SCHEMBL109334

COCCNc1ccc(N(CCO)CCO)cc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
TSHR P16473 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
HCAR3 P49019 2/20 0.60
LMNA P02545 2/20 0.58
MAPT P10636 7/20 0.56
RAB9A P51151 3/20 0.56
PTGER4 P35408 1/20 0.56
POLB P06746 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.42
PKM P14618 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL109266 0.87 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL29829407 0.87 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL5839671 0.86 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL30808004 0.85 ALDH1A1 (0.85) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL198602 0.85 ALDH1A1 (0.85) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL8799830 0.84 ALDH1A1 (0.88) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL111343 0.84 ALDH1A1 (0.83) ALDH1A1TSHRTDP1LMNAMAPT
Hydrochloric Acid SCHEMBL9820092 0.84 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HCAR3MAPT
Hydrochloric Acid SCHEMBL8974864 0.83 ALDH1A1 (0.86) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL210589 0.83 ALDH1A1 (0.85) ALDH1A1TSHRTDP1HCAR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070251028-A1 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent L'OREAL S.A. (FR) 2007-11-01 US claimed
EP-1328244-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
US-6773463-B2 A MIXTURE OF A 4-NITRO-2,1,3-BENZOXADIAZOLE, A 4-NITRO-2,1,3-BENZOTHIADIAZOLE, OR A 4-NITRO-2,1,3-BENZO-SELENADIAZOLE AND AT LEAST ONE AMINE, PHENOL, OR AMINONITROBENZENE; INTENSE COLORATIONS; MILD CONDITIONS; DIRECT HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 2004-08-10 US claimed
EP-1328244-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-07-23 EP claimed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 US claimed
WO-2002022093-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 WO claimed
US-5972044-A Composition and method for dyeing keratin fibers WELLA AG (DE) 1999-10-26 US claimed
EP-0867170-A2 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1998-09-30 EP claimed
EP-0659399-B1 Process of direct hair using steam OREAL (FR) 1997-03-19 EP claimed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 US claimed
EP-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 EP claimed
US-12178897-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations HENKEL AG & CO. KGAA (DE) 2024-12-31 US disclosed
US-12109291-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations HENKEL AG & CO. KGAA (DE) 2024-10-08 US disclosed
US-12102704-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations HENKEL AG & CO. KGAA (DE) 2024-10-01 US disclosed
US-12097274-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations HENKEL AG & CO. KGAA (DE) 2024-09-24 US disclosed
EP-0806199-A2 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1997-11-12 EP disclosed
EP-0796850-A1 4,5-Diiminopyrazolines, their process of preparation and dyeing compositions containing them L'OREAL (FR) 1997-09-24 EP disclosed
EP-0659399-B1 Process of direct hair using steam OREAL (FR) 1997-03-19 EP disclosed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 US disclosed
EP-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 EP 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 (6 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-20070251028-A1 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent KRT18, DSG1, IK ALDH1A1 18/4885TSHR 4753/4885TDP1 758/4885
US-12109291-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations KRT18, ALDH5A1, ALDH2 ALDH1A1 40/4885TSHR 4836/4885TDP1 1560/4885
US-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B ALDH1A1 87/4885TSHR 2949/4885TDP1 3522/4885
US-12102704-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations KRT18, ALDH5A1, ALDH2 ALDH1A1 26/4885TSHR 4819/4885TDP1 1390/4885
US-12097274-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations KRT18, ALDH5A1, COX5A ALDH1A1 28/4885TSHR 4771/4885TDP1 1004/4885
US-12178897-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations KRT18, ALDH5A1, COX5A ALDH1A1 37/4885TSHR 4846/4885TDP1 1430/4885

“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.