SCHEMBL3968205

SCHEMBL3968205

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PDE10A Q9Y233 1/20 0.34
FOS P01100 1/20 0.34
TTR P02766 1/20 0.34
JUN P05412 1/20 0.34
NR3C1 P04150 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34

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 0.87 ALOX5 (0.41) ALOX5CYP2C19GAAMAPTCYP3A4
SCHEMBL6535506 0.86 GAA (0.33) CYP1A2CYP2D6CYP2C19GAATHRB
SCHEMBL3975247 0.82 TDP1 (0.46) ALOX5GAAMAPTCYP3A4PDE10A
SCHEMBL3968067 0.81 CYP3A4 (0.42) ALOX5CYP2C19MAPTLMNACYP3A4
SCHEMBL3970430 0.76 PDE10A (0.42) ALOX5GAAMAPTLMNACYP3A4
SCHEMBL3965393 0.72 KDM4E (0.43) ALOX5GAAMAPTLMNACA1
SCHEMBL8140503 0.72 PDE10A (0.45) ALOX5CYP2C19GAAMAPTCYP3A4
SCHEMBL3977541 0.71 CHRNB4 (0.38) ALOX5LMNAHTTALDH1A1MEN1
SCHEMBL6535756 0.71 TDP1 (0.39) GAAMAPTCYP3A4ALDH1A1MEN1
SCHEMBL3968161 0.68 PDE10A (0.39) ALOX5CA1CA2PDE10ATSHR

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 276/4885CYP1A2 150/4885CYP2D6 285/4885

“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.