SCHEMBL977935

SCHEMBL977935

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 1.00
MAOB P27338 4/20 0.73
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
HPGD P15428 1/20 0.67
CA12 O43570 3/20 0.66
CA1 P00915 3/20 0.66
CA9 Q16790 3/20 0.66
CA3 P07451 2/20 0.66
CA4 P22748 2/20 0.66
CA6 P23280 2/20 0.66
CA5A P35218 2/20 0.66
CA7 P43166 2/20 0.66
CA14 Q9ULX7 2/20 0.66
CA5B Q9Y2D0 2/20 0.66
CA2 P00918 2/20 0.66
GPR35 Q9HC97 8/20 0.62
TSHR P16473 1/20 0.60
ADORA3 P0DMS8 1/20 0.59
ADORA2A P29274 1/20 0.59

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
Hydrochloric Acid SCHEMBL11344142 0.98 MAOA (0.97) MAOAMAOBALDH1A1LMNAHPGD
SCHEMBL1367029 0.88 MAOA (0.79) MAOAMAOBALDH1A1LMNAHPGD
SCHEMBL11344137 0.85 MAOA (0.73) MAOAMAOBALDH1A1LMNAHPGD
SCHEMBL980080 0.83 MAOA (0.71) MAOAMAOBALDH1A1LMNAHPGD
SCHEMBL31315657 0.83 MAOA (0.71) MAOAMAOBALDH1A1LMNAHPGD
SCHEMBL31315660 0.83 MAOA (0.71) MAOAMAOBALDH1A1LMNAHPGD
SCHEMBL980248 0.83 MAOA (0.71) MAOAMAOBALDH1A1LMNAHPGD
SCHEMBL11341006 0.83 MAOA (0.71) MAOAMAOBALDH1A1LMNAHPGD
SCHEMBL31315659 0.83 MAOA (0.71) MAOAMAOBALDH1A1LMNAHPGD
SCHEMBL18306420 0.83 MAOA (0.71) MAOAMAOBALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285790-A 3-carboxycoumarin derivative capable of serving as GPR35 agonist, preparation method and application 泰州医药城国科化物生物医药科技有限公司 2020-06-16 CN claimed
WO-2020114290-A1 3-CARBOXYL COUMARIN DERIVATIVE CAPABLE OF BEING USED AS A GPR35 AGONIST, PREPARATION METHOD, AND APPLICATION 泰州医药城国科化物生物医药科技有限公司 2020-06-11 WO claimed
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
CN-108715589-B Coumarin derivative used as caspase-3 activator and application thereof 华侨大学 2021-04-20 CN disclosed
CN-111285790-A 3-carboxycoumarin derivative capable of serving as GPR35 agonist, preparation method and application 泰州医药城国科化物生物医药科技有限公司 2020-06-16 CN disclosed
WO-2020114290-A1 3-CARBOXYL COUMARIN DERIVATIVE CAPABLE OF BEING USED AS A GPR35 AGONIST, PREPARATION METHOD, AND APPLICATION 泰州医药城国科化物生物医药科技有限公司 2020-06-11 WO disclosed
WO-2020114290-A1 3-CARBOXYL COUMARIN DERIVATIVE CAPABLE OF BEING USED AS A GPR35 AGONIST, PREPARATION METHOD, AND APPLICATION 泰州医药城国科化物生物医药科技有限公司 2020-06-11 WO disclosed
CN-108715589-A A kind of coumarin derivatives and its application as caspase-3 activator 华侨大学 2018-10-30 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-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 3235/4885ALDH1A1 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.