SCHEMBL3968161

SCHEMBL3968161

CC(Oc1ccco1)c1cc(N)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
ALOX5 P09917 2/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
EPHX2 P34913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRKCI P41743 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL6536041 0.85 ALOX5 (0.32) ALOX5KDM4CEPHX2TAAR1
SCHEMBL3966749 0.76 ALOX5 (0.35) PDE10AALOX5CA1CA2TSHR
SCHEMBL3968067 0.76 CYP3A4 (0.42) PDE10AALOX5CA1CA2TSHR
SCHEMBL3969449 0.75 ALOX5 (0.41) PDE10AALOX5CA1CA2TSHR
SCHEMBL8140503 0.73 PDE10A (0.45) PDE10AALOX5CA1CA2TSHR
SCHEMBL3975247 0.72 TDP1 (0.46) PDE10AALOX5SMN1; SMN2
SCHEMBL3977541 0.69 CHRNB4 (0.38) ALOX5
SCHEMBL3970430 0.69 PDE10A (0.42) PDE10AALOX5TSHRCASP1SMN1; SMN2
SCHEMBL2739345 0.69 PDE10A (0.52) PDE10AALOX5CA1CA2TSHR
SCHEMBL3965393 0.68 KDM4E (0.43) ALOX5CA1CA2TSHRSMN1; SMN2

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
EP-1359890-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2009-08-12 EP disclosed
US-6673934-B2 4-AMINO-2-(1-ARYLOXY-ETHYL)PHENOL COMPOUND THE PROCTER & GAMBLE COMPANY 2004-01-06 US disclosed
EP-1359890-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-11-12 EP disclosed
US-20020157192-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-31 US disclosed
WO-2002058631-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-08-01 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-20020157192-A1 Primary intermediates for oxidative coloration of hair AOX1, CYC1, CBR1 PDE10A 2017/4885ALOX5 276/4885CA1 3631/4885

“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.