SCHEMBL979779

SCHEMBL979779

O=C(O)c1cc2cc(O)ccc2oc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 1.00
MAOB P27338 6/20 0.73
GPR35 Q9HC97 6/20 0.69
CA12 O43570 5/20 0.69
CA1 P00915 5/20 0.69
CA9 Q16790 5/20 0.69
CA6 P23280 4/20 0.69
CA7 P43166 4/20 0.69
CA14 Q9ULX7 4/20 0.69
CA5B Q9Y2D0 4/20 0.69
CA2 P00918 4/20 0.69
CA4 P22748 3/20 0.69
CA5A P35218 3/20 0.69
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 2/20 0.69
GRIN1 Q05586 1/20 0.69
GRIN2A Q12879 1/20 0.69
GRIN2B Q13224 1/20 0.69
GRIN2C Q14957 1/20 0.69
CYP1A2 P05177 1/20 0.69

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
SCHEMBL29785071 1.00 MAOA (1.00) MAOAMAOBGPR35CA12CA1
SCHEMBL1367700 0.88 MAOA (0.78) MAOAMAOBCA12CA1CA9
SCHEMBL37883 0.86 MAOA (0.76) MAOAMAOBGPR35CA12CA1
SCHEMBL11510368 0.85 MAOA (0.73) MAOAMAOBGPR35CA12CA1
SCHEMBL11319226 0.83 MAOA (1.00) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL11266285 0.83 MAOA (0.71) MAOAMAOBGPR35CA12CA1
SCHEMBL9068774 0.81 MAOA (0.69) MAOAMAOBGPR35CA12CA1
SCHEMBL980099 0.81 MAOA (0.69) MAOAMAOBGPR35CA12CA1
SCHEMBL31315658 0.81 MAOA (0.69) MAOAMAOBGPR35CA12CA1
SCHEMBL569881 0.81 GPR35 (1.00) MAOAMAOBGPR35CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939916-B Method for synthesizing coumarin-3-carboxylic acid compounds by one-pot two-step method 河南中烟工业有限责任公司 2022-08-19 CN disclosed
CN-113024499-A Green synthesis method of coumarin-3-carboxylic acid compounds 河南中烟工业有限责任公司 2021-06-25 CN disclosed
CN-112939916-A Method for synthesizing coumarin-3-carboxylic acid compounds by one-pot two-step method 河南中烟工业有限责任公司 2021-06-11 CN 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
US-4343938-A 7-[Dα-(Coumarin-3-carboxamido)arylacetamido]-cephalosporanic acids or salts AMERICAN CYANAMID COMPANY (US) 1982-08-10 US disclosed
US-4317774-A 6-[D-α-(Coumarin-3-carboxamido)arylacetamido]-penicillanic acids or salts AMERICAN CYANAMID COMPANY (US) 1982-03-02 US disclosed
US-4303664-A Novel penicillin derivatives containing a coumarin nucleus and medicines containing the same TEIJIN LIMITED (JP) 1981-12-01 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 MAOA 2101/4885MAOB 3235/4885GPR35 4234/4885

“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.