SCHEMBL17237090

SCHEMBL17237090

COc1cc(C=Cc2cc(O)c(OC)c(NC=CC(=O)c3ccc(F)cc3)c2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 6/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ ATM Q13315 1/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ CXCL12 P48061 1/20 0.55
▸ ABCG2 Q9UNQ0 1/20 0.53
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ RELA Q04206 1/20 0.52
▸ CYP1A1 P04798 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C8 P10632 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP1B1 Q16678 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 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
SCHEMBL17237088 1.00 KRAS (0.66) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237114 0.94 KRAS (0.72) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237111 0.94 KRAS (0.72) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237423 0.92 ABCG2 (0.55) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237422 0.92 ABCG2 (0.55) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237026 0.91 KRAS (0.65) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237203 0.91 KRAS (0.67) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237199 0.91 KRAS (0.67) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237029 0.91 KRAS (0.65) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17251600 0.91 CA1 (0.65) KRASALDH1A1SMN1; SMN2ATML3MBTL1

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 KRAS 528/4885ALDH1A1 119/4885SMN1; SMN2 4614/4885

“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.

Send feedback