SCHEMBL5684875

SCHEMBL5684875

Cc1ccccc1-c1ccc(N)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
CASP1 P29466 2/20 0.57
PDE10A Q9Y233 1/20 0.52
PLA2G7 Q13093 1/20 0.50
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
NPC1 O15118 6/20 0.45
MAPT P10636 5/20 0.45
TP53 P04637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
HPGD P15428 5/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42

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
SCHEMBL6572188 0.86 PDE10A (0.61) TSHRCASP1PDE10APLA2G7RAB9A
SCHEMBL1461185 0.85 PLA2G7 (0.55) TSHRCASP1PDE10APLA2G7RAB9A
SCHEMBL28053536 0.85 ALDH1A1 (0.56) TSHRCASP1PDE10ARAB9ASMN1; SMN2
SCHEMBL5688012 0.85 CASP1 (0.53) TSHRCASP1PDE10APLA2G7RAB9A
Hydrochloric Acid SCHEMBL6788783 0.85 PDE10A (0.59) TSHRCASP1PDE10APLA2G7RAB9A
SCHEMBL4229761 0.83 PTPRC (0.61) TSHRCASP1PDE10APLA2G7RAB9A
Hydrochloric Acid SCHEMBL5685021 0.83 CASP1 (0.52) TSHRCASP1PDE10APLA2G7RAB9A
SCHEMBL5687750 0.83 SMN1; SMN2 (0.50) TSHRCASP1PDE10ARAB9ASMN1; SMN2
SCHEMBL5685015 0.82 CASP1 (0.59) TSHRCASP1PDE10APLA2G7MAPT
SCHEMBL6011421 0.82 CASP1 (0.52) TSHRCASP1PDE10APLA2G7RAB9A

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 TSHR 2675/4885CASP1 2849/4885PDE10A 4235/4885

“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.