SCHEMBL3969449

SCHEMBL3969449

CC(Oc1ccc(N)cc1)c1cc(N)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 7/20 0.38
GAA P10253 3/20 0.38
HIF1A Q16665 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 7/20 0.37
TSHR P16473 3/20 0.37
CASP1 P29466 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL3975247 0.92 TDP1 (0.46) ALOX5PDE10AALDH1A1GAATDP1
SCHEMBL3968067 0.90 CYP3A4 (0.42) ALOX5PDE10AALDH1A1HIF1ATDP1
SCHEMBL3968205 0.87 ALOX5 (0.35) ALOX5PDE10AALDH1A1GAAHTT
SCHEMBL3970430 0.85 PDE10A (0.42) ALOX5PDE10AALDH1A1GAATDP1
SCHEMBL6535756 0.82 TDP1 (0.39) ALDH1A1GAATDP1TSHRCASP1
SCHEMBL3965393 0.80 KDM4E (0.43) ALOX5ALDH1A1GAATSHRCA1
SCHEMBL8140503 0.80 PDE10A (0.45) ALOX5PDE10AALDH1A1GAAHIF1A
SCHEMBL3977541 0.79 CHRNB4 (0.38) ALOX5ALDH1A1HTTTDP1MEN1
SCHEMBL3968161 0.75 PDE10A (0.39) ALOX5PDE10ATSHRCASP1CA1
SCHEMBL2739345 0.75 PDE10A (0.52) ALOX5PDE10AALDH1A1GAAHIF1A

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 ALOX5 276/4885PDE10A 2017/4885ALDH1A1 32/4885

“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.