SCHEMBL4668334

SCHEMBL4668334

Nc1ccc(CCO)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
MAPT P10636 4/20 0.65
GAA P10253 3/20 0.65
ALDH1A1 P00352 2/20 0.65
ALOX5 P09917 1/20 0.65
BACE1 P56817 1/20 0.65
MEN1 O00255 1/20 0.65
POLB P06746 1/20 0.65
RAB9A P51151 1/20 0.65
KMT2A Q03164 1/20 0.65
ALOX15 P16050 3/20 0.48
HSD17B10 Q99714 2/20 0.48
CA2 P00918 2/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 2/20 0.47
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
SLC6A2 P23975 2/20 0.47

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
SCHEMBL9008928 0.89 KDM4E (0.74) KDM4EMAPTGAAALDH1A1ALOX5
SCHEMBL272366 0.84 KDM4E (0.68) KDM4EMAPTGAAALDH1A1ALOX5
SCHEMBL11970178 0.84 KDM4E (0.57) KDM4EMAPTGAAALDH1A1ALOX5
SCHEMBL10409135 0.83 TAAR1 (0.69) KDM4EMAPTGAAALDH1A1BACE1
SCHEMBL18928227 0.83 ALDH1A1 (0.65) KDM4EMAPTGAAALDH1A1ALOX5
SCHEMBL2342680 0.82 KDM4E (0.71) KDM4EMAPTGAAALDH1A1ALOX5
SCHEMBL4720461 0.82 ALDH1A1 (0.52) KDM4EMAPTGAAALDH1A1ALOX5
SCHEMBL2786932 0.81 KDM4E (0.63) KDM4EMAPTGAAALDH1A1ALOX5
SCHEMBL28177094 0.80 KDM4E (0.68) KDM4EMAPTGAAALDH1A1ALOX5
SCHEMBL436819 0.79 MAPT (1.00) KDM4EMAPTGAAALDH1A1MEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8444709-B2 Oxidative dyeing compositions comprising an 1-hexyl/heptyl-4,5-diaminopyrazole and a 2-aminophenol and derivatives thereof THE PROCTER & GAMBLE COMPANY (US) 2013-05-21 US claimed
WO-2013058816-A1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A 2-AMINOPHENOL AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-04-25 WO claimed
US-20120210519-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a 2-Aminophenol and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US claimed
CN-107072920-B Hair colouring layer, method and kit therefor 诺赛尔股份有限公司 2021-03-30 CN disclosed
CN-107072923-B Hair colouring layer, method and kit therefor 诺赛尔股份有限公司 2021-03-02 CN disclosed
CN-107072899-B Hair treatment composition, kit and method thereof 诺赛尔股份有限公司 2020-12-25 CN disclosed
EP-1992331-B1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol OREAL (FR) 2013-10-02 EP disclosed
US-8444709-B2 Oxidative dyeing compositions comprising an 1-hexyl/heptyl-4,5-diaminopyrazole and a 2-aminophenol and derivatives thereof THE PROCTER & GAMBLE COMPANY (US) 2013-05-21 US disclosed
WO-2013058816-A1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A 2-AMINOPHENOL AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-04-25 WO disclosed
US-20120210519-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a 2-Aminophenol and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US disclosed
EP-1992331-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol L'Oreal (FR) 2008-11-19 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 (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-20120210519-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a 2-Aminophenol and Derivatives Thereof TYR, GPX4, TH KDM4E 1009/4885MAPT 3760/4885GAA 4087/4885

“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.