SCHEMBL17237114

SCHEMBL17237114

COc1cc(C=Cc2cc(OC)c(OC)c(OC)c2)cc(NC=CC(=O)c2ccc(F)cc2)c1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 6/20 0.72
▸ ALDH1A1 P00352 2/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ ATM Q13315 1/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ CA1 P00915 3/20 0.56
▸ CA2 P00918 3/20 0.56
▸ RELA Q04206 1/20 0.55
▸ CXCL12 P48061 1/20 0.53
▸ CYP1A1 P04798 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C8 P10632 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP1B1 Q16678 1/20 0.52
▸ ABCB1 P08183 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MEN1 O00255 2/20 0.50

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
SCHEMBL17237111 1.00 KRAS (0.72) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237203 0.95 KRAS (0.67) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237199 0.95 KRAS (0.67) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237090 0.94 KRAS (0.66) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237088 0.94 KRAS (0.66) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237449 0.93 KRAS (0.65) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237448 0.93 KRAS (0.65) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237370 0.93 KRAS (0.65) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237372 0.93 KRAS (0.65) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL17237172 0.92 KRAS (0.67) 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.

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