SCHEMBL5686540

SCHEMBL5686540

COc1cc(/C=C/c2cc(O)c3ccsc3c2)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.56
NQO2 P16083 3/20 0.54
NQO1 P15559 1/20 0.54
CYP1A1 P04798 7/20 0.51
CYP1B1 Q16678 7/20 0.51
ABL1 P00519 7/20 0.51
BCR P11274 7/20 0.51
ABCB1 P08183 5/20 0.51
TTR P02766 3/20 0.51
PTGS2 P35354 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
PTGS1 P23219 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
GFER P55789 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
SCHEMBL5686554 1.00 ALOX5 (0.56) ALOX5NQO2NQO1CYP1A1CYP1B1
SCHEMBL5686546 1.00 ALOX5 (0.56) ALOX5NQO2NQO1CYP1A1CYP1B1
SCHEMBL5686615 0.83 TUBB1 (0.72) NQO2CYP1A1CYP1B1ABCB1KDM4E
SCHEMBL5686608 0.83 TUBB1 (0.72) NQO2CYP1A1CYP1B1ABCB1KDM4E
SCHEMBL5686624 0.83 TUBB1 (0.72) NQO2CYP1A1CYP1B1ABCB1KDM4E
SCHEMBL38654906 0.83 TUBB1 (0.72) NQO2CYP1A1CYP1B1ABCB1KDM4E
SCHEMBL5687379 0.82 TUBB1 (0.70) NQO2CYP1A1CYP1B1ABCB1KDM4E
SCHEMBL5686435 0.76 TUBB1 (0.62) ALOX5NQO2NQO1CYP1A1ABCB1
SCHEMBL5686440 0.76 TUBB1 (0.62) ALOX5NQO2NQO1CYP1A1ABCB1
SCHEMBL5686444 0.76 TUBB1 (0.62) ALOX5NQO2NQO1CYP1A1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160773-A1 Combretastatin derivatives with cytotoxic action SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-07-20 US claimed
EP-1646616-A2 COMBRETASTATIN DERIVATIVES WITH CYTOTOXIC ACTION Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2006-04-19 EP claimed
WO-2005007635-A2 COMBRETASTATIN DERIVATIVES WITH CYTOTOXIC ACTION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-01-27 WO claimed
EP-1646616-A2 COMBRETASTATIN DERIVATIVES WITH CYTOTOXIC ACTION Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2006-04-19 EP disclosed
WO-2005007635-A2 COMBRETASTATIN DERIVATIVES WITH CYTOTOXIC ACTION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-01-27 WO 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-20060160773-A1 Combretastatin derivatives with cytotoxic action TUBB, TUBB1, TYMS ALOX5 3403/4885NQO2 1226/4885NQO1 1604/4885

“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.