SCHEMBL17251597

SCHEMBL17251597

COc1cc(/C=C\c2cc(F)c(OC)c(N/C=C\C(=O)c3ccc(C)cc3)c2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.64
▸ CA2 P00918 3/20 0.64
▸ KRAS P01116 7/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ATM Q13315 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ TUBB1 Q9H4B7 3/20 0.55
▸ MAPT P10636 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HTT P42858 1/20 0.49
▸ 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
▸ TUBB4A P04350 1/20 0.48
▸ TUBB P07437 1/20 0.48

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
SCHEMBL17237203 0.93 KRAS (0.67) CA1CA2KRASALDH1A1SMN1; SMN2
SCHEMBL17237199 0.93 KRAS (0.67) CA1CA2KRASALDH1A1SMN1; SMN2
SCHEMBL17251596 0.92 CA1 (0.71) CA1CA2KRASALDH1A1SMN1; SMN2
SCHEMBL17236676 0.92 KRAS (0.57) CA1CA2KRASALDH1A1SMN1; SMN2
SCHEMBL17236876 0.92 KRAS (0.64) CA1CA2KRASALDH1A1SMN1; SMN2
SCHEMBL17236677 0.92 KRAS (0.57) CA1CA2KRASALDH1A1SMN1; SMN2
SCHEMBL17236878 0.92 KRAS (0.64) CA1CA2KRASALDH1A1SMN1; SMN2
SCHEMBL17236657 0.91 KRAS (0.65) CA1CA2KRASALDH1A1SMN1; SMN2
SCHEMBL17237192 0.91 KRAS (0.56) CA1CA2KRASALDH1A1SMN1; SMN2
SCHEMBL17237195 0.91 KRAS (0.56) CA1CA2KRASALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CA1 4408/4885CA2 4130/4885KRAS 528/4885

“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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