SCHEMBL16018012

SCHEMBL16018012

COc1cc(C)c(C(C)C)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
HPGD P15428 3/20 0.49
PTPN1 P18031 2/20 0.45
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.39
MCL1 Q07820 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38
BCR P11274 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL2629462 0.85 ALDH1A1 (0.48) CYP3A4HPGDPTPN1POLBKMT2A
SCHEMBL31439156 0.80 MAPK1 (0.50) CYP3A4POLBKMT2AMAPTMAPK1
SCHEMBL25955631 0.80 MAPK1 (0.50) CYP3A4POLBKMT2AMAPTMAPK1
SCHEMBL16010550 0.79 CYP3A4 (0.43) CYP3A4HPGDKMT2AMCL1GAA
SCHEMBL29427938 0.79 CYP3A4 (0.43) CYP3A4HPGDKMT2AMCL1GAA
SCHEMBL16018014 0.78 CYP3A4 (0.47) CYP3A4HPGDPTPN1POLBMAPK1
SCHEMBL11974262 0.78 ALDH1A1 (0.42) CYP3A4HPGDPOLBKDM4EGAA
SCHEMBL20375023 0.76 TAAR1 (0.41) CYP3A4HPGDPTPN1ALDH1A1ELANE
SCHEMBL3060235 0.74 SELL (0.46) POLBKMT2AMAPTMCL1KDM4E
SCHEMBL10106588 0.74 CYP3A4 (0.62) CYP3A4HPGDPTPN1POLBKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256830-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE UNILEVER N.V. (NL) 2014-09-11 US 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-20140256830-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE NQO1, RBP4, KEAP1 CYP3A4 1742/4885HPGD 234/4885PTPN1 3204/4885

“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.