SCHEMBL688714

SCHEMBL688714

Nc1ccccc1-c1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 3/20 0.58
HSD17B1 P14061 10/20 0.52
HSD17B2 P37059 9/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 2/20 0.52
PLK4 O00444 1/20 0.50
ROCK2 O75116 1/20 0.50
RPS6KA5 O75582 1/20 0.50
MAP4K4 O95819 1/20 0.50
RET P07949 1/20 0.50
PDGFRB P09619 1/20 0.50
PIM1 P11309 1/20 0.50
FGFR1 P11362 1/20 0.50
SRC P12931 1/20 0.50
PDGFRA P16234 1/20 0.50
PRKACA P17612 1/20 0.50
RPS6KB1 P23443 1/20 0.50
LTK P29376 1/20 0.50
GRK5 P34947 1/20 0.50

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
SCHEMBL4779452 0.84 HSD17B1 (0.64) ALDH1A1HSD17B10HSD17B1HSD17B2CYP3A4
SCHEMBL5162068 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10CYP3A4MAP4K4LIMK1
Phenol SCHEMBL27847435 0.83 ALDH1A1 (0.77) ALDH1A1HSD17B10ADORA1L3MBTL1CA12
SCHEMBL3680161 0.82 HSD17B1 (0.61) ALDH1A1HSD17B10HSD17B1HSD17B2CYP3A4
SCHEMBL17051267 0.80 HSD17B1 (0.58) ALDH1A1HSD17B10HSD17B1HSD17B2CYP3A4
SCHEMBL5050883 0.80 HSD17B1 (0.58) ALDH1A1HSD17B10HSD17B1HSD17B2CYP3A4
SCHEMBL6011365 0.80 CA12 (0.54) ALDH1A1HSD17B10HSD17B1HSD17B2CYP3A4
SCHEMBL6573001 0.80 CA12 (0.54) ALDH1A1HSD17B10HSD17B1HSD17B2CYP3A4
SCHEMBL27787239 0.79 ALDH1A1 (0.89) ALDH1A1HSD17B10CYP3A4MAP4K4FGFR1
SCHEMBL30685324 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP3A4PLK4ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104114540-B 1-hexyl-1H-pyrazoles-4,5-diamidogen Hemisulphate and the purposes in colouring compositions thereof 宝洁公司 2016-06-22 CN claimed
CN-104114540-A 1-HEXYL-1H-PYRAZOLE-4,5-DIAMINE HEMISULFATE, AND ITS USE IN DYEING COMPOSITIONS PROCTER & GAMBLE 2014-10-22 CN claimed
EP-3609468-A1 METHOD FOR TREATING HAIR, KIT, AND USE OF THE KIT Coty Inc. (US) 2020-02-19 EP disclosed
CN-110267711-A Method and kit for hair dyeing 诺赛尔股份有限公司 2019-09-20 CN disclosed
CN-110200836-A Hair colourant compositions, method and the box set comprising the composition 诺赛尔股份有限公司 2019-09-06 CN disclosed
CN-109661685-A Calculate the composition for handling the preparation of hair fiber 宝洁公司 2019-04-19 CN disclosed
WO-2018191362-A1 METHOD FOR TREATING HAIR, KIT, AND USE OF THE KIT COTY INC. (US) 2018-10-18 WO disclosed
CN-107750154-A Composition for dyeing hair using cationic direct dyes 诺赛尔股份有限公司 2018-03-02 CN disclosed
CN-107635536-A Method for dyeing hair using direct dye compounds 诺赛尔股份有限公司 2018-01-26 CN disclosed
CN-107635537-A Composition for dyeing hair using cationic direct dyes 诺赛尔股份有限公司 2018-01-26 CN disclosed
CN-104168876-B Hair colourant compositions, method and the box set for including the composition comprising the xylenol of 3 amino 2,6 and 1,4 paraphenylene diamine type developers 诺赛尔股份有限公司 2017-11-03 CN disclosed
WO-2006023436-A1 HAIR DYEING COMPOSITIONS COMPRISING 2-(AMINO OR SUBSTITUTED AMINO)-3-5-SUBSTITUTED PHENOL COMPOUNDS AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 WO disclosed
WO-2006023435-A1 2-(AMINO OR SUBSTITUTED AMINO)-5, 6-SUBSTITUTED PHENOL COMPOUNDS, DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 WO disclosed
US-20060032002-A1 Hair dyeing compositions comprising 2-(amino or substituted amino)-3-5-substituted phenol compounds and use thereof PROCTER & GAMBLE COMPANY, THE 2006-02-16 US disclosed
US-20060032001-A1 2-(Amino or substituted amino)-5, 6-substituted phenol compounds, dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2006-02-16 US disclosed
US-20060032000-A1 2-(Amino or substituted amino)-3-5-6-substituted phenol compounds, dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2006-02-16 US disclosed
US-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 2005-07-21 US disclosed
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN disclosed
CN-1215990-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-05-05 CN 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 (4 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-20060032001-A1 2-(Amino or substituted amino)-5, 6-substituted phenol compounds, dyeing compositions containing them, and use thereof KRT18, S100A6, S100A4 ALDH1A1 403/4885HSD17B10 2072/4885HSD17B1 3229/4885
US-20060032002-A1 Hair dyeing compositions comprising 2-(amino or substituted amino)-3-5-substituted phenol compounds and use thereof KRT18, TYR, TH ALDH1A1 247/4885HSD17B10 534/4885HSD17B1 799/4885
US-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives KRT18, CBR3, CCNB3 ALDH1A1 131/4885HSD17B10 913/4885HSD17B1 1279/4885
US-20060032000-A1 2-(Amino or substituted amino)-3-5-6-substituted phenol compounds, dyeing compositions containing them, and use thereof KRT18, S100A6, S100A4 ALDH1A1 459/4885HSD17B10 2382/4885HSD17B1 3277/4885

“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.