SCHEMBL17237388

SCHEMBL17237388

COc1ccc(C(=O)C=CNc2cc(C=Cc3cc(OC)c(OC)c(OC)c3)cc(Br)c2OC)cc1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 1/20 0.54
▸ TUBB1 Q9H4B7 4/20 0.52
▸ ABCG2 Q9UNQ0 3/20 0.52
▸ KRAS P01116 6/20 0.51
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ABCB1 P08183 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 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
SCHEMBL17237386 1.00 TNFRSF1A (0.54) TNFRSF1ATUBB1ABCG2KRASCA1
SCHEMBL17236633 0.93 TUBB1 (0.57) TUBB1ABCG2KRASCA1CA2
SCHEMBL17236634 0.93 TUBB1 (0.57) TUBB1ABCG2KRASCA1CA2
SCHEMBL17237267 0.91 TUBB1 (0.57) TUBB1ABCG2KRASCA1CA2
SCHEMBL17237268 0.91 TUBB1 (0.57) TUBB1ABCG2KRASCA1CA2
SCHEMBL17236654 0.91 TNFRSF1A (0.60) TNFRSF1AABCG2KRASCA1CA2
SCHEMBL17236652 0.91 TNFRSF1A (0.60) TNFRSF1AABCG2KRASCA1CA2
SCHEMBL17237449 0.90 KRAS (0.65) TNFRSF1AABCG2KRASCA1CA2
SCHEMBL17237448 0.90 KRAS (0.65) TNFRSF1AABCG2KRASCA1CA2
SCHEMBL17236630 0.89 TNFRSF1A (0.55) TNFRSF1ATUBB1ABCG2KRASCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2942345-B1 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES FOR THE TREATMENT OF CANCER COUNCIL SCIENT IND RES (IN) 2018-03-28 — — EP claimed
US-9487482-B2 3,4,5-trimethoxystyrylarylaminopropenones as potential anticancer agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-11-08 — — US claimed
US-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-12 — — US claimed
EP-2942345-A1 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES for the treatment of cancer Council of Scientific and Industrial Research (IN) 2015-11-11 — — EP claimed
EP-2942345-B1 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES FOR THE TREATMENT OF CANCER COUNCIL SCIENT IND RES (IN) 2018-03-28 — — EP disclosed
US-9487482-B2 3,4,5-trimethoxystyrylarylaminopropenones as potential anticancer agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-11-08 — — US disclosed
US-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-12 — — US disclosed
EP-2942345-A1 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES for the treatment of cancer Council of Scientific and Industrial Research (IN) 2015-11-11 — — EP 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-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS MCL1, HCCS, CASP3 TNFRSF1A 1536/4885TUBB1 853/4885ABCG2 149/4885

“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.

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