SCHEMBL6573729

SCHEMBL6573729

Cc1ccc(-c2cc(N)ccc2O)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.59
ALDH1A1 P00352 2/20 0.54
CASP1 P29466 3/20 0.53
TSHR P16473 2/20 0.53
MCL1 Q07820 1/20 0.46
BACE1 P56817 1/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR8 Q9NR97 2/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
FYN P06241 1/20 0.40
PLA2G7 Q13093 1/20 0.40
ESR2 Q92731 1/20 0.40

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 SCHEMBL6776669 0.98 PDE10A (0.57) PDE10AALDH1A1CASP1TSHRMCL1
SCHEMBL6573556 0.89 CASP1 (0.64) PDE10AALDH1A1CASP1TSHRBACE1
SCHEMBL27478787 0.87 PDE10A (0.57) PDE10AALDH1A1CASP1TSHRBACE1
SCHEMBL5685052 0.87 TSHR (0.61) PDE10AALDH1A1CASP1TSHRMCL1
Hydrochloric Acid SCHEMBL5688148 0.85 TSHR (0.59) PDE10AALDH1A1CASP1TSHRMCL1
SCHEMBL30668980 0.84 MCL1 (0.56) ALDH1A1MCL1BACE1MAPK1NPSR1
SCHEMBL29819560 0.84 MCL1 (0.56) ALDH1A1MCL1BACE1MAPK1NPSR1
SCHEMBL6574562 0.82 FYN (0.50) PDE10ACASP1TSHRFYN
SCHEMBL6029104 0.81 BACE1 (0.62) PDE10AALDH1A1CASP1TSHRMCL1
SCHEMBL28556589 0.81 TLR8 (0.50) ALDH1A1MCL1TLR8HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP claimed
US-6749644-B2 DEVELOPER AND COUPLER; WIDE RANGE OF DIFFERENT COLOR SHADES FROM BLOND TO BROWN, PURPLE, VIOLET AND EVEN BLUE AND BLACK; INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP disclosed
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-14 US disclosed
EP-1208077-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-05-29 EP disclosed
WO-2002002507-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-01-10 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-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 PDE10A 4026/4885ALDH1A1 20/4885CASP1 1450/4885

“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.