SCHEMBL12774233

SCHEMBL12774233

COc1ccc(/C=C\c2cc(CO)c(CO)c(OC)c2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 13/20 0.50
▸ CYP1A1 P04798 2/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ TUBB4A P04350 4/20 0.44
▸ TUBB P07437 4/20 0.44
▸ TUBA3C P0DPH7 4/20 0.44
▸ TUBA1B P68363 4/20 0.44
▸ TUBA4A P68366 4/20 0.44
▸ TUBB4B P68371 4/20 0.44
▸ TUBB3 Q13509 4/20 0.44
▸ TUBB2A Q13885 4/20 0.44
▸ TUBB8 Q3ZCM7 4/20 0.44
▸ TUBA3E Q6PEY2 4/20 0.44
▸ TUBA1A Q71U36 4/20 0.44
▸ TUBA1C Q9BQE3 4/20 0.44

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
SCHEMBL12810214 0.86 TUBB1 (0.52) TUBB1CYP1A1PTGS1PTGS2MMP2
SCHEMBL10030788 0.86 TUBB1 (0.64) TUBB1CYP1A1PTGS1PTGS2MMP2
SCHEMBL12774239 0.85 TUBB1 (0.63) TUBB1CYP1A1PTGS1PTGS2MMP2
SCHEMBL12593827 0.85 TUBB1 (0.61) TUBB1CYP1A1PTGS1PTGS2MMP2
SCHEMBL10030786 0.85 TUBB1 (0.61) TUBB1CYP1A1PTGS1PTGS2MMP2
SCHEMBL17145738 0.83 MMP2 (0.54) TUBB1CYP1A1PTGS1PTGS2MMP2
SCHEMBL786868 0.83 TUBB1 (0.52) TUBB1CYP1A1PTGS1PTGS2MMP2
SCHEMBL13456507 0.83 APP (0.57) TUBB1CYP1A1PTGS1PTGS2MMP2
SCHEMBL17145749 0.83 MAPT (0.55) CYP1A1PTGS1PTGS2MMP2MMP9
SCHEMBL10135773 0.81 ABCG2 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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-20150065727-A1 THE NEW DERIVATIVES OF (Z)-1,2-DIPHENYLETHENE UNIWERSYTET MEDYCZNY IM. KAROLA MARCINKOWSKIEGO (PL) 2015-03-05 — — US disclosed
US-20110054035-A1 Combination Comprising Combretastatin and Anticancer Agents AVENTIS PHARMA S.A. (FR) 2011-03-03 — — 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 (2 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-20110054035-A1 Combination Comprising Combretastatin and Anticancer Agents TEK, FLT4, FLT1 TUBB1 47/4885CYP1A1 4777/4885PTGS1 1873/4885
US-20150065727-A1 THE NEW DERIVATIVES OF (Z)-1,2-DIPHENYLETHENE TUBB1, TUBA1C, TUBB3 TUBB1 1/4885CYP1A1 3678/4885PTGS1 823/4885

“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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