SCHEMBL17236894

SCHEMBL17236894

COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1N/C=C\C(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ PKM P14618 1/20 0.66
▸ KLF5 Q13887 1/20 0.66
▸ ABCB1 P08183 3/20 0.56
▸ TNFRSF1A P19438 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KRAS P01116 5/20 0.52
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ ABCG2 Q9UNQ0 2/20 0.52
▸ CYP1A1 P04798 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C8 P10632 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP1B1 Q16678 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ ATM Q13315 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
SCHEMBL17236791 1.00 NPC1 (0.66) NPC1RAB9AMEN1KMT2APKM
SCHEMBL17236891 1.00 NPC1 (0.66) NPC1RAB9AMEN1KMT2APKM
SCHEMBL17236786 1.00 NPC1 (0.66) NPC1RAB9AMEN1KMT2APKM
SCHEMBL17237396 0.92 MEN1 (0.60) NPC1RAB9AMEN1KMT2APKM
SCHEMBL17236830 0.92 ABCG2 (0.60) NPC1RAB9AMEN1KMT2APKM
SCHEMBL17236833 0.92 ABCG2 (0.60) NPC1RAB9AMEN1KMT2APKM
SCHEMBL17237399 0.92 MEN1 (0.60) NPC1RAB9AMEN1KMT2APKM
SCHEMBL17236790 0.92 MEN1 (0.60) NPC1RAB9AMEN1KMT2APKM
SCHEMBL17236788 0.92 MEN1 (0.60) NPC1RAB9AMEN1KMT2APKM
SCHEMBL17244230 0.90 MEN1 (0.62) NPC1RAB9AMEN1KMT2APKM

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 4 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 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 NPC1 1040/4885RAB9A 3123/4885MEN1 692/4885

“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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