SCHEMBL110420

SCHEMBL110420

O=[N+]([O-])c1ccc(N(CCO)CCO)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
GPR35 Q9HC97 2/20 0.50
TSHR P16473 3/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 3/20 0.46
GAA P10253 3/20 0.45
THRB P10828 1/20 0.45
POLB P06746 3/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
NSD2 O96028 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ERN1 O75460 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL7809597 0.84 ALDH1A1 (0.52) ALDH1A1GPR35TSHRTP53SMN1; SMN2
SCHEMBL1984158 0.83 HSD17B10 (0.51) ALDH1A1TSHRTP53SMN1; SMN2HTT
SCHEMBL7472206 0.83 ALDH1A1 (0.55) ALDH1A1TSHRTP53SMN1; SMN2HTT
SCHEMBL2088798 0.83 ALDH1A1 (0.51) ALDH1A1TSHRTP53SMN1; SMN2HTT
SCHEMBL27587729 0.81 ALDH1A1 (0.50) ALDH1A1GPR35TSHRTP53SMN1; SMN2
SCHEMBL8108406 0.79 HSD17B10 (0.51) ALDH1A1TSHRTP53SMN1; SMN2HTT
SCHEMBL7466490 0.79 HTT (0.53) ALDH1A1TP53SMN1; SMN2HPGDHTT
SCHEMBL6052274 0.79 GAA (0.60) ALDH1A1TP53SMN1; SMN2HTTGAA
SCHEMBL7470554 0.79 ALDH1A1 (0.53) ALDH1A1TSHRTP53MAPK1HTT
SCHEMBL6574837 0.79 ALDH1A1 (0.51) ALDH1A1TP53SMN1; SMN2HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158942-A2 Direct hair dye composition comprising insoluble oxygenated compounds and processes L'Oreal (FR) 2010-03-03 EP claimed
US-7651534-B2 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL SA (FR) 2010-01-26 US claimed
EP-1757326-B1 Direct dying composition comprising insoluble oxygenated compounds and processes OREAL (FR) 2009-01-07 EP claimed
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL S.A. (FR) 2007-03-01 US claimed
EP-1757326-A1 Direct dying composition comprising insoluble oxygenated compounds and processes L'Oréal (FR) 2007-02-28 EP claimed
EP-1430876-A1 Composition containing a direct dyestuff and a specific polymer for colouring of keratinic fibres, method for the preparation thereof and process of dyeing with such a composition L'OREAL (FR) 2004-06-23 EP claimed
US-3930792-A NITROAMINOBENZENE, QUATERNARY AMINE, N-OXYALKYLATED FATTY ACID AMIDES CLAIROL INCORPORATED (US) 1976-01-06 US claimed
WO-2024223966-A1 SOLID COLOURING AGENT EMULSION FOR MANUFACTURING HAIR DYE ROCA PARES ALBERT (ES) 2024-10-31 WO disclosed
EP-4454633-A1 SOLID COLOURING AGENT EMULSION FOR MANUFACTURING HAIR DYE Roca Pares, Albert (ES) 2024-10-30 EP disclosed
EP-4362894-A1 COMPOSITION COMPRISING N,N-DICARBOXYMETHYLGLUTAMIC ACID, AT LEAST ONE FATTY ALCOHOL, AT LEAST ONE FATTY ACID, AT LEAST ONE POLYOL, AT LEAST ONE ALKALINE AGENT AND OPTIONALLY AT LEAST ONE DYE L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362906-A1 COMPOSITION COMPRISING SHEA, AN ALKYL(POLY)GLYCOSIDE, A POLYSACCHARIDE AND A DYE L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362895-A1 COMPOSITION COMPRISING PROPANE-1,3-DIOL, AT LEAST ONE ALKANOLAMINE, AT LEAST ONE FATTY SUBSTANCE AND OPTIONALLY AT LEAST ONE POLYOL L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362892-A1 COMPOSITION COMPRISING AT LEAST ONE ALKYL (POLY)GLYCOSIDE, AT LEAST ONE FATTY ALCOHOL, AT LEAST ONE FATTY ACID, AND AT LEAST ONE ALKALINE AGENT L'OREAL (FR) 2024-05-08 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
US-4566875-A HAIR DYES L'OREAL (FR) 1986-01-28 US disclosed
US-4295848-A Composition for hair dyeing which contains a para base and an ortho base L'OREAL (FR) 1981-10-20 US disclosed
US-4289495-A HAIR DYES, STORAGE STABILITY L'OREAL (FR) 1981-09-15 US disclosed
US-4268264-A ORTHO PRECURSORS SELECTED FROM AROMATIC DIAMINES, AMINOPHENOL, DIPHENOL, AND PHENYLENEDIAMINE L'OREAL (FR) 1981-05-19 US disclosed
US-4185958-A HAIR DYES BUGAUT ANDREE 1980-01-29 US disclosed
US-3930792-A NITROAMINOBENZENE, QUATERNARY AMINE, N-OXYALKYLATED FATTY ACID AMIDES CLAIROL INCORPORATED (US) 1976-01-06 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-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition KRT18, DSG1, PLOD2 ALDH1A1 188/4885GPR35 3162/4885TSHR 4670/4885

“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.