SCHEMBL12757261

SCHEMBL12757261

O=C1C=C(O)C(=O)C(Cc2ccccc2)=C1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 8/20 0.73
▸ CYP2C9 P11712 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ ALOX5 P09917 9/20 0.46
▸ MPEG1 Q2M385 7/20 0.46
▸ GPR84 Q9NQS5 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PTGES O14684 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ALOX12 P18054 1/20 0.46

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
SCHEMBL12757274 0.84 XIAP (1.00) XIAPCYP2C9MAPK1CYP1A2HIF1A
SCHEMBL12757282 0.79 XIAP (1.00) XIAPCYP2C9MAPK1ALOX5MPEG1
SCHEMBL29506228 0.74 CYP1A2 (0.77) CYP2C9MAPK1CYP1A2HIF1AMEN1
SCHEMBL14765070 0.74 CYP1A2 (0.77) CYP2C9MAPK1CYP1A2HIF1AMEN1
SCHEMBL9175113 0.71 XIAP (1.00) XIAPCYP2C9MAPK1ALOX5MPEG1
SCHEMBL9580649 0.69 ALOX5 (0.83) XIAPCYP2C9MAPK1ALOX5MPEG1
SCHEMBL22139397 0.69 XIAP (0.41) XIAPCYP2C9MAPK1CYP1A2HIF1A
SCHEMBL27623517 0.68 MAOA (0.57) CYP2C9MAPK1CYP1A2HIF1APTPN1
SCHEMBL10934636 0.67 CYP1A2 (0.51) XIAPCYP2C9MAPK1CYP1A2HIF1A
SCHEMBL3044017 0.65 HIF1A (0.48) CYP2C9MAPK1CYP1A2HIF1AMEN1

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-7910621-B2 Small molecule antagonists of XIAP family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-22 — — US disclosed
US-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-01-24 — — 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-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins XIAP, BIRC5, BIRC3 XIAP 1/4885CYP2C9 4873/4885MAPK1 3102/4885

“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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