SCHEMBL17237350

SCHEMBL17237350

COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1NC=CC(=O)c1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 6/20 0.67
▸ CA1 P00915 4/20 0.67
▸ CA2 P00918 4/20 0.67
▸ CYP19A1 P11511 1/20 0.54
▸ NQO2 P16083 1/20 0.54
▸ TUBB1 Q9H4B7 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KLF5 Q13887 1/20 0.52
▸ ABCG2 Q9UNQ0 2/20 0.51
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51

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
SCHEMBL17237347 1.00 KRAS (0.67) KRASCA1CA2CYP19A1NQO2
SCHEMBL17236645 0.92 KRAS (0.72) KRASCA1CA2CYP19A1NQO2
SCHEMBL17236643 0.92 KRAS (0.72) KRASCA1CA2CYP19A1NQO2
SCHEMBL17237231 0.91 TUBB1 (0.60) KRASCA1CA2TUBB1MEN1
SCHEMBL17237229 0.91 TUBB1 (0.60) KRASCA1CA2TUBB1MEN1
SCHEMBL17244223 0.90 KRAS (0.67) KRASCA1CA2TUBB1ALDH1A1
SCHEMBL17237394 0.90 BACE1 (0.56) KRASCA1CA2TUBB1ALDH1A1
SCHEMBL17251595 0.90 CA1 (0.67) KRASCA1CA2TUBB1ALDH1A1
SCHEMBL17237391 0.90 BACE1 (0.56) KRASCA1CA2TUBB1ALDH1A1
SCHEMBL17236830 0.90 ABCG2 (0.60) KRASTUBB1MEN1KMT2ANPC1

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 528/4885CA1 4408/4885CA2 4130/4885

“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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