SCHEMBL4211905

SCHEMBL4211905

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
PTGS2 P35354 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
MAPT P10636 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
KDM1A O60341 1/20 0.49
TP53 P04637 3/20 0.48
TRPV1 Q8NER1 1/20 0.48
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.47
ESR1 P03372 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4211914 1.00 CA12 (0.53) CA12CA1CA2CA9PTGS2
SCHEMBL1634811 0.86 TRPV1 (0.62) CA12CA1CA2CA9PTGS2
SCHEMBL1634809 0.86 TRPV1 (0.62) CA12CA1CA2CA9PTGS2
SCHEMBL4209792 0.85 PTGS2 (0.64) CA12CA1CA2CA9PTGS2
SCHEMBL4209797 0.85 PTGS2 (0.64) CA12CA1CA2CA9PTGS2
SCHEMBL1634237 0.85 PTGS2 (0.53) CA12CA1CA2CA9PTGS2
SCHEMBL1634235 0.85 PTGS2 (0.53) CA12CA1CA2CA9PTGS2
SCHEMBL1636198 0.85 PTGS2 (0.53) CA12CA1CA2CA9PTGS2
SCHEMBL1636207 0.85 PTGS2 (0.53) CA12CA1CA2CA9PTGS2
SCHEMBL4218425 0.84 CA12 (0.50) CA12CA1CA2CA9PTGS2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539675-B1 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2013-11-06 EP 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 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-2897599-B1 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES UNIV TEMPLE (US) 2020-12-30 EP disclosed
CN-110776447-A Substituted alkyl diaryl derivatives, preparation method and use 坦普尔大学 2020-02-11 CN disclosed
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use Temple University—Of the Commonwealth System of Higher Education (US) 2019-08-20 US disclosed
US-10207989-B2 Substituted alkyl diaryl derivatives, methods of preparation and uses Temple University—Of the Commonwealth System of Higher Education (US) 2019-02-19 US disclosed
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2018-08-30 US disclosed
WO-2017023912-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-02-09 WO disclosed
US-20150266819-A1 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2015-09-24 US 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
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
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 (5 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 CA12 4785/4885CA1 4677/4885CA2 4717/4885
US-20150266819-A1 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES CCNY, CCNB3, BOD1L1 CA12 3702/4885CA1 3536/4885CA2 3228/4885
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use CCNY, STS, ARSA CA12 1085/4885CA1 1697/4885CA2 926/4885
US-10207989-B2 Substituted alkyl diaryl derivatives, methods of preparation and uses CCNY, CCNB3, BOD1L1 CA12 3702/4885CA1 3536/4885CA2 3228/4885
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE CCNY, STS, ARSA CA12 1085/4885CA1 1697/4885CA2 926/4885

“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.