SCHEMBL6573408

SCHEMBL6573408

COc1cc(C)cc(-c2cc(N)ccc2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.41
ABL1 P00519 2/20 0.41
ABCB1 P08183 2/20 0.41
BCR P11274 2/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6572433 0.90 ABL1 (0.49) PDE10AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6575760 0.87 PDE10A (0.59) PDE10AALDH1A1KDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6776909 0.85 PDE10A (0.57) PDE10AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6011409 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL6573878 0.80 TDP1 (0.52) PDE10AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6572338 0.80 PDE10A (0.52) PDE10AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6572257 0.79 FYN (0.55) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6781134 0.79 ALDH1A1 (0.53) PDE10AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL5688059 0.78 ABL1 (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6781218 0.78 FYN (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1

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 20/4885KDM4E 396/4885

“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.