SCHEMBL3968067

SCHEMBL3968067

CC(Oc1ccccc1)c1cc(N)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
KDR P35968 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAPT P10636 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
ADRA1A P35348 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
POLB P06746 1/20 0.41
ALOX5 P09917 2/20 0.40
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MAOB P27338 2/20 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
SCHEMBL3969449 0.90 ALOX5 (0.41) CYP3A4KDRMAPTSMN1; SMN2ALOX5
SCHEMBL3975247 0.86 TDP1 (0.46) CYP3A4MAPTSMN1; SMN2ALOX5PDE10A
SCHEMBL6535648 0.83 POLB (0.43) CYP3A4KDRTP53LMNAADORA3
SCHEMBL3977541 0.83 CHRNB4 (0.38) LMNAPOLBALOX5MEN1ALDH1A1
SCHEMBL3968205 0.81 ALOX5 (0.35) CYP3A4LMNAMAPTALOX5PDE10A
SCHEMBL11510925 0.80 POLB (0.43) CYP3A4KDRTP53LMNAADORA3
SCHEMBL1840074 0.79 GABRA1 (0.54) LMNAPOLBALOX5KDM4EHPGD
SCHEMBL3970430 0.79 PDE10A (0.42) CYP3A4LMNAMAPTSMN1; SMN2ALOX5
SCHEMBL8140503 0.78 PDE10A (0.45) CYP3A4KDRMAPTSMN1; SMN2ALOX5
SCHEMBL3968161 0.76 PDE10A (0.39) SMN1; SMN2ALOX5PDE10ACASP1CA1

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 CYP3A4 266/4885KDR 4471/4885TP53 2338/4885

“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.