SCHEMBL3975247

SCHEMBL3975247

COc1ccc(OC(C)c2cc(N)ccc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
MCL1 Q07820 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NFE2L2 Q16236 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
ALOX5 P09917 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
SCHEMBL3969449 0.92 ALOX5 (0.41) TDP1MAPK1ALDH1A1KDM4EMEN1
SCHEMBL3968067 0.86 CYP3A4 (0.42) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6535654 0.84 TDP1 (0.48) TDP1MAPK1ALDH1A1KDM4EMEN1
SCHEMBL3968205 0.82 ALOX5 (0.35) TDP1ALDH1A1KDM4EMEN1GAA
SCHEMBL3970430 0.81 PDE10A (0.42) TDP1ALDH1A1KDM4EMEN1GAA
SCHEMBL8140503 0.80 PDE10A (0.45) TDP1MAPK1ALDH1A1KDM4EMEN1
SCHEMBL5685489 0.78 ALDH1A1 (0.71) TDP1MAPK1ALDH1A1KDM4EMEN1
SCHEMBL3965393 0.76 KDM4E (0.43) MAPK1ALDH1A1KDM4EGAAMAPT
SCHEMBL3977541 0.76 CHRNB4 (0.38) TDP1ALDH1A1MEN1ALOX5
SCHEMBL6535756 0.75 TDP1 (0.39) TDP1MAPK1ALDH1A1MEN1GAA

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 TDP1 1454/4885MAPK1 533/4885ALDH1A1 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.