SCHEMBL12757281

SCHEMBL12757281

CCCCc1cccc(CCC2=C(O)C(=O)C=C(O)C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 8/20 1.00
▸ ALOX5 P09917 12/20 0.61
▸ MPEG1 Q2M385 8/20 0.61
▸ GPR84 Q9NQS5 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ PTGES O14684 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ KAT2B Q92831 1/20 0.61

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
SCHEMBL12757282 0.86 XIAP (1.00) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL12757265 0.85 XIAP (1.00) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL12757264 0.84 XIAP (0.82) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL12757284 0.82 XIAP (0.77) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL12757286 0.81 XIAP (0.80) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL12757266 0.81 XIAP (0.74) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL12757274 0.79 XIAP (1.00) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL6410428 0.78 ALOX5 (0.97) XIAPALOX5MPEG1GPR84KDM4E
Rapanone SCHEMBL2311835 0.76 ALOX5 (1.00) XIAPALOX5MPEG1GPR84KDM4E
Embelin SCHEMBL148744 0.76 ALOX5 (1.00) XIAPALOX5MPEG1GPR84KDM4E

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
US-7910621-B2 Small molecule antagonists of XIAP family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-22 — — US disclosed
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
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 1/4885ALOX5 3857/4885MPEG1 975/4885

“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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