SCHEMBL4209797

SCHEMBL4209797

COc1ccc(NC(=O)C=Cc2c(OC)cc(OC)cc2OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.64
MAPT P10636 5/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
MMP1 P03956 4/20 0.62
MMP2 P08253 4/20 0.62
MMP9 P14780 4/20 0.62
EGFR P00533 1/20 0.62
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
TP53 P04637 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
THRB P10828 1/20 0.60
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL4209792 1.00 PTGS2 (0.64) PTGS2MAPTMEN1KMT2AMMP1
SCHEMBL4204101 0.89 MMP1 (0.66) MAPTMEN1KMT2AMMP1MMP2
SCHEMBL4204091 0.89 MMP1 (0.66) MAPTMEN1KMT2AMMP1MMP2
SCHEMBL1634811 0.87 TRPV1 (0.62) PTGS2MAPTMEN1KMT2AMMP1
SCHEMBL1634809 0.87 TRPV1 (0.62) PTGS2MAPTMEN1KMT2AMMP1
SCHEMBL1636207 0.85 PTGS2 (0.53) PTGS2MAPTMEN1KMT2AMMP1
SCHEMBL4211905 0.85 CA12 (0.53) PTGS2MAPTMEN1KMT2ACA12
SCHEMBL1636198 0.85 PTGS2 (0.53) PTGS2MAPTMEN1KMT2AMMP1
SCHEMBL4211914 0.85 CA12 (0.53) PTGS2MAPTMEN1KMT2ACA12
SCHEMBL4211206 0.84 PTGS2 (0.52) PTGS2MAPTMEN1KMT2AMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1539675-A4 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2007-07-11 EP claimed
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
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 claimed
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 claimed
EP-1539675-B1 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2013-11-06 EP disclosed
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 PTGS2 371/4885MAPT 4667/4885MEN1 3402/4885

“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.