SCHEMBL5688103

SCHEMBL5688103

COc1ccc(-c2ccc(N)cc2O)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
GAA P10253 2/20 0.53
MAPK1 P28482 2/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53
CYP3A4 P08684 5/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP4B1 P13584 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP3A5 P20815 1/20 0.50
CYP2A7 P20853 1/20 0.50
CYP3A7 P24462 1/20 0.50
CYP2F1 P24903 1/20 0.50
CYP2C18 P33260 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
Hydrochloric Acid SCHEMBL5687739 0.98 ALDH1A1 (0.53) ALDH1A1GAAMAPK1HTTGFER
SCHEMBL6572388 0.90 ALDH1A1 (0.50) ALDH1A1GAAMAPK1HTTGFER
Hydrochloric Acid SCHEMBL6777421 0.89 ALDH1A1 (0.53) ALDH1A1GAAMAPK1HTTGFER
SCHEMBL5684954 0.88 HDAC4 (0.51) ALDH1A1GAAMAPK1CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL5685564 0.87 ALDH1A1 (0.51) ALDH1A1GAAMAPK1CYP3A4NPC1
SCHEMBL6011394 0.84 ALDH1A1 (0.56) ALDH1A1GAAMAPK1HTTGFER
Hydrochloric Acid SCHEMBL6574984 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPK1HTTGFER
SCHEMBL12970887 0.81 ALDH1A1 (0.56) ALDH1A1GAAMAPK1HTTGFER
Hydrochloric Acid SCHEMBL5688123 0.81 ALDH1A1 (0.51) ALDH1A1GAAMAPK1HTTCYP3A4
SCHEMBL29589241 0.81 CYP1A1 (0.69) ALDH1A1GAAMAPK1HTTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7077872-B2 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AG (DE) 2006-07-18 US disclosed
EP-1418879-B1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 2006-04-12 EP disclosed
US-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AKTIENGESELLSCHAFT (DE) 2004-10-14 US disclosed
EP-1418879-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 2004-05-19 EP disclosed
WO-2003017955-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-03-06 WO 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-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives KRT18, S100P, ALDH7A1 ALDH1A1 84/4885GAA 4834/4885MAPK1 406/4885

“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.