SCHEMBL1366982

SCHEMBL1366982

COc1ccc(/C=C/C(=O)CC(=O)c2cc3cc(Br)ccc3oc2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.62
GPR55 Q9Y2T6 1/20 0.62
MAOA P21397 4/20 0.60
GSK3B P49841 1/20 0.52
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 6/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
KMT2A Q03164 3/20 0.51
MAOB P27338 3/20 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
SCHEMBL1367924 1.00 POLB (0.62) POLBGPR55MAOAGSK3BALDH1A1
SCHEMBL1366983 1.00 POLB (0.62) POLBGPR55MAOAGSK3BALDH1A1
SCHEMBL1368523 0.88 GSK3B (0.52) POLBGPR55MAOAGSK3BALDH1A1
SCHEMBL1367462 0.88 KMT2A (0.61) GSK3BALDH1A1KDM4EHPGDGAA
SCHEMBL1366255 0.88 GSK3B (0.52) POLBGPR55MAOAGSK3BALDH1A1
SCHEMBL1367668 0.88 KMT2A (0.61) GSK3BALDH1A1KDM4EHPGDGAA
SCHEMBL1366252 0.88 GSK3B (0.52) POLBGPR55MAOAGSK3BALDH1A1
SCHEMBL1367464 0.88 KMT2A (0.61) GSK3BALDH1A1KDM4EHPGDGAA
SCHEMBL1368322 0.86 MAOA (0.76) POLBGPR55MAOAALDH1A1KDM4E
SCHEMBL1367749 0.86 MAOA (0.76) POLBGPR55MAOAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS POLB 2722/4885GPR55 4702/4885MAOA 3570/4885

“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.