SCHEMBL855851

SCHEMBL855851

Cc1c(N)ccc(Cl)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 5/20 0.46
CYP3A4 P08684 5/20 0.46
PIK3CA P42336 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ESR2 Q92731 1/20 0.38
THRB P10828 1/20 0.37
DPP4 P27487 1/20 0.37
TP53 P04637 1/20 0.36
CD44 P16070 1/20 0.36
MAPK1 P28482 2/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
Hydrochloric Acid SCHEMBL11038530 0.98 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4PIK3CACA1
SCHEMBL3789515 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4PIK3CACA1
SCHEMBL38652542 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4PIK3CACA1
SCHEMBL1801222 0.79 CYP3A4 (0.48) ALDH1A1TSHRCYP3A4PIK3CAESR2
SCHEMBL11699414 0.79 DPP4 (0.42) ALDH1A1TSHRCYP3A4CA1CA2
SCHEMBL26096976 0.77 CA1 (0.48) ALDH1A1TSHRCYP3A4CA1CA2
SCHEMBL29927582 0.77 CA1 (0.48) ALDH1A1TSHRCYP3A4CA1CA2
SCHEMBL3971917 0.77 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4PIK3CACA1
SCHEMBL34164 0.75 DPP4 (0.39) ALDH1A1TSHRCYP3A4DPP4MAPK1
SCHEMBL126200 0.75 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4PIK3CATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999395-A Dye composite comprising p-phenylenediamine fouramine and specific coupling agent 莱雅公司 2017-08-01 CN claimed
WO-2012080286-A9 DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2013-01-31 WO claimed
WO-2012080286-A2 DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2012-06-21 WO claimed
EP-3496818-B1 PROCESS FOR PREPARING HAIR DYE AGENTS HAVING UNILAMELLAR AND MULTILAMELLAR VESICLES HENKEL AG & CO KGAA (DE) 2021-01-20 EP disclosed
US-10736827-B2 Hair dye agent having unilamellar and multilamellar vesicles HENKEL AG & CO. KGAA (DE) 2020-08-11 US disclosed
EP-3496818-A1 HAIR DYE AGENT HAVING UNILAMELLAR AND MULTILAMELLAR VESICLES Henkel AG & Co. KGaA (DE) 2019-06-19 EP disclosed
US-20190175459-A1 HAIR DYE AGENT HAVING UNILAMELLAR AND MULTILAMELLAR VESICLES HENKEL AG & CO. KGAA (DE) 2019-06-13 US disclosed
WO-2015079251-A1 QUINAZOLINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-06-04 WO disclosed
WO-2014118093-A2 DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-AMINOPHENOL COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-08-07 WO disclosed
EP-1473025-B1 Dyeing composition containing 2-chloro-6-methyl-3-aminophenol and an associative polymer OREAL (FR) 2012-03-28 EP disclosed
EP-1473024-B1 Dyeing composition comprising 2-chloro 6-methyl 3-amino phenol OREAL (FR) 2011-07-27 EP disclosed
EP-1493426-A1 Dyeing composition comprising a developer, 2-chloro-6-methyl-3-aminophenol and 3-methyl-5-pyrazolone L'OREAL (FR) 2005-01-05 EP disclosed
EP-1473025-A1 Dyeing composition containing 2-chloro-6-methyl-3-aminophenol and an associative polymer L'OREAL (FR) 2004-11-03 EP disclosed
EP-1473023-A1 Dyeing composition comprising 2-chloro 6-methyl 3-amino phenol as a coupling agent, para-aminophenol and 3-methyl 4-amino phenol as developper and a thickening associative polymer L'OREAL (FR) 2004-11-03 EP disclosed
EP-1473024-A1 Dyeing composition comprising 2-chloro 6-methyl 3-amino phenol L'OREAL (FR) 2004-11-03 EP disclosed
US-4976742-A LIGHTFASTNESS, WASHFASTNESS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-12-11 US disclosed
EP-0211238-B1 AMINOPHENOLS AND THEIR USE AS OXIDATION HAIR DYEING AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 1990-04-04 EP disclosed
EP-0211238-A1 Aminophenols and their use as oxidation hair dyeing agents Henkel Kommanditgesellschaft auf Aktien (DE) 1987-02-25 EP disclosed
EP-0039030-B1 COUPLER COMPONENTS FOR OXIDATIVE HAIR DYES, THEIR PREPARATION AND THEIR USE, AND HAIR DYEING COMPOSITIONS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1984-07-18 EP disclosed
EP-0039030-A1 Coupler components for oxidative hair dyes, their preparation and their use, and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 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 (2 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-10736827-B2 Hair dye agent having unilamellar and multilamellar vesicles EXOSC10, ANXA5, ANXA4 ALDH1A1 579/4885TSHR 3673/4885CYP3A4 1936/4885
US-20190175459-A1 HAIR DYE AGENT HAVING UNILAMELLAR AND MULTILAMELLAR VESICLES EXOSC10, ANXA5, ANXA4 ALDH1A1 579/4885TSHR 3673/4885CYP3A4 1936/4885

“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.