SCHEMBL3965393

SCHEMBL3965393

CC(Oc1ccc2c(c1)OCCO2)c1cc(N)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.39
ALOX5 P09917 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL6535896 0.87 KDM4E (0.45) KDM4EGAAMAPTALDH1A1MAPK1
SCHEMBL3969449 0.80 ALOX5 (0.41) KDM4EGAAMAPTALDH1A1MAPK1
SCHEMBL3975247 0.76 TDP1 (0.46) KDM4EGAAMAPTALDH1A1MAPK1
SCHEMBL3970430 0.76 PDE10A (0.42) KDM4EGAAMAPTALDH1A1TSHR
SCHEMBL3968067 0.75 CYP3A4 (0.42) KDM4EMAPTALDH1A1TSHRALOX5
SCHEMBL3968205 0.72 ALOX5 (0.35) KDM4EGAAMAPTALDH1A1TSHR
SCHEMBL3966749 0.69 ALOX5 (0.35) KDM4EGAAMAPTALDH1A1TSHR
SCHEMBL8140503 0.69 PDE10A (0.45) KDM4EGAAMAPTALDH1A1MAPK1
SCHEMBL3072232 0.69 PTGS1 (0.58) KDM4EGAAALDH1A1TSHRPTGS1
SCHEMBL3977541 0.68 CHRNB4 (0.38) ALDH1A1ALOX5LMNA

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 KDM4E 2155/4885GAA 4718/4885MAPT 4251/4885

“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.