SCHEMBL17251599

SCHEMBL17251599

COc1cc(/C=C\c2cc(Br)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 6/20 0.57
▸ TNFRSF1A P19438 1/20 0.57
▸ MAPT P10636 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ ABCG2 Q9UNQ0 2/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ 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

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
SCHEMBL17251596 0.92 CA1 (0.71) CA1CA2KRASMAPTNPC1
SCHEMBL17236678 0.92 KRAS (0.57) CA1CA2KRASTNFRSF1AMAPT
SCHEMBL17237266 0.92 KRAS (0.64) CA1CA2KRASTNFRSF1AMAPT
SCHEMBL17237269 0.92 KRAS (0.64) CA1CA2KRASTNFRSF1AMAPT
SCHEMBL17236675 0.92 KRAS (0.57) CA1CA2KRASTNFRSF1AMAPT
SCHEMBL17237449 0.91 KRAS (0.65) CA1CA2KRASTNFRSF1AMAPT
SCHEMBL17237448 0.91 KRAS (0.65) CA1CA2KRASTNFRSF1AMAPT
SCHEMBL17237147 0.91 KRAS (0.65) CA1CA2KRASTNFRSF1AMAPT
SCHEMBL17237149 0.91 KRAS (0.65) CA1CA2KRASTNFRSF1AMAPT
SCHEMBL17237039 0.91 KRAS (0.56) CA1CA2KRASTNFRSF1AMAPT

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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