SCHEMBL980080

SCHEMBL980080

O=C(O)c1cc2cccc(F)c2oc1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.71
HPGD P15428 2/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA9 Q16790 3/20 0.62
CA3 P07451 2/20 0.62
CA4 P22748 2/20 0.62
CA6 P23280 2/20 0.62
CA5A P35218 2/20 0.62
CA7 P43166 2/20 0.62
CA14 Q9ULX7 2/20 0.62
CA5B Q9Y2D0 2/20 0.62
CA2 P00918 2/20 0.62
GPR35 Q9HC97 13/20 0.59
MAOB P27338 4/20 0.57
TSHR P16473 1/20 0.57
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL31315660 1.00 MAOA (0.71) MAOAHPGDALDH1A1LMNACA12
SCHEMBL1368567 0.89 MAOA (0.57) MAOAHPGDALDH1A1LMNACA12
SCHEMBL977935 0.83 MAOA (1.00) MAOAHPGDALDH1A1LMNACA12
Hydrochloric Acid SCHEMBL11344142 0.82 MAOA (0.97) MAOAHPGDALDH1A1LMNACA12
SCHEMBL11341006 0.81 MAOA (0.71) MAOAHPGDALDH1A1LMNACA12
SCHEMBL31315657 0.81 MAOA (0.71) MAOAHPGDALDH1A1LMNACA12
SCHEMBL980248 0.81 MAOA (0.71) MAOAHPGDALDH1A1LMNACA12
SCHEMBL31315659 0.81 MAOA (0.71) MAOAHPGDALDH1A1LMNACA12
SCHEMBL18306420 0.81 MAOA (0.71) MAOAHPGDALDH1A1LMNACA12
SCHEMBL9069002 0.80 GPR35 (0.62) MAOAHPGDALDH1A1LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518038-B2 Condensation product of theanine derivative and carboxylic acid coumarin derivative, its intermediate, preparation method and use thereof SHANDONG YINGDONG YINGHAO BIOTECHNOLOGY, INC. (CN) 2016-12-13 US disclosed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 MAOA 2101/4885HPGD 2184/4885ALDH1A1 2806/4885

“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.