SCHEMBL4201357

SCHEMBL4201357

COc1cc(OC)c(/C=C/C(=O)Nc2ccc(OC)c(NC(=O)C(C)(C)OC(C)=O)c2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.45
PTGS2 P35354 2/20 0.45
MAPT P10636 8/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.41
CREBBP Q92793 1/20 0.41
RECQL P46063 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4201361 1.00 TRPV1 (0.45) TRPV1PTGS2MAPTTHRBMEN1
SCHEMBL4208600 0.88 TRPV1 (0.48) TRPV1PTGS2MAPTTHRBMEN1
SCHEMBL4208612 0.88 TRPV1 (0.48) TRPV1PTGS2MAPTTHRBMEN1
SCHEMBL4206587 0.85 CYP1A2 (0.52) TRPV1PTGS2MAPTTHRBMEN1
SCHEMBL4206583 0.85 CYP1A2 (0.52) TRPV1PTGS2MAPTTHRBMEN1
SCHEMBL4207096 0.85 PTGS2 (0.51) TRPV1PTGS2MAPTTHRBMEN1
SCHEMBL4207082 0.85 PTGS2 (0.51) TRPV1PTGS2MAPTTHRBMEN1
SCHEMBL1634070 0.84 TRPV1 (0.50) TRPV1PTGS2MAPTMEN1KMT2A
SCHEMBL1634071 0.84 TRPV1 (0.50) TRPV1PTGS2MAPTMEN1KMT2A
SCHEMBL4211273 0.84 PTGS2 (0.46) TRPV1PTGS2MAPTTHRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167317-A1 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-07-27 US claimed
US-7482488-B2 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-01-27 US disclosed
EP-1539675-A4 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2007-07-11 EP disclosed
US-20060167317-A1 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-07-27 US disclosed
EP-1539675-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2005-06-15 EP disclosed
WO-2004037751-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2004-05-06 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-20060167317-A1 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof BCL2A1, NFE2L2, BCL2 TRPV1 4774/4885PTGS2 371/4885MAPT 4667/4885

“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.