SCHEMBL6573889

SCHEMBL6573889

Nc1cc(Cl)c(O)c(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
BACE1 P56817 2/20 0.45
CYP2A6 P11509 1/20 0.43
AKR1C2 P52895 2/20 0.43
AKR1C1 Q04828 2/20 0.43
ESR2 Q92731 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CSNK2A1 P68400 2/20 0.41
PTPN1 P18031 1/20 0.41
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
BCL2L1 Q07817 1/20 0.39
AKR1C3 P42330 1/20 0.39
ACLY P53396 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL634456 0.86 BACE1 (0.54) BACE1AKR1C2AKR1C1ESR2PTPN1
SCHEMBL27906708 0.80 BACE1 (0.53) BACE1CYP2A6AKR1C2AKR1C1ESR2
SCHEMBL6572245 0.80 BACE1 (0.54) BACE1AKR1C2AKR1C1PTPN1ALOX5
SCHEMBL2810864 0.80 ALDH1A1 (0.52) BACE1CYP2A6AKR1C2AKR1C1ESR2
SCHEMBL28264819 0.80 AKR1C2 (0.59) BACE1CYP2A6AKR1C2AKR1C1ESR2
SCHEMBL5174258 0.80 ALDH1A1 (0.52) THRBBACE1CYP2A6CSNK2A1ALDH1A1
SCHEMBL6572603 0.77 ESR2 (0.48) BACE1AKR1C2AKR1C1ESR2PTPN1
SCHEMBL6574554 0.77 RPS6KA3 (0.46) BACE1AKR1C2AKR1C1PTPN1ALOX5
SCHEMBL30343480 0.76 HSD17B10 (0.57) BACE1CYP2A6AKR1C2AKR1C1ESR2
SCHEMBL1596288 0.76 HSD17B10 (0.57) BACE1CYP2A6AKR1C2AKR1C1ESR2

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 THRB 1830/4885BACE1 2023/4885CYP2A6 154/4885

“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.