SCHEMBL76086

SCHEMBL76086

COC(=O)c1cc2ccccc2oc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 4/20 1.00
HPGD P15428 1/20 1.00
ATM Q13315 1/20 0.80
CYP1A2 P05177 2/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
MAOB P27338 6/20 0.69
CA12 O43570 3/20 0.69
CA9 Q16790 3/20 0.69
NT5E P21589 1/20 0.69
NPSR1 Q6W5P4 1/20 0.68
MAOA P21397 3/20 0.67
MAPT P10636 2/20 0.67
CA3 P07451 2/20 0.66
CA6 P23280 2/20 0.66
CA5A P35218 2/20 0.66
CA7 P43166 2/20 0.66

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
Malonic Acid Diethyl Ester SCHEMBL29093543 0.88 KDM4E (0.78) KDM4EALDH1A1HPGDATMCYP1A2
SCHEMBL29093540 0.87 KDM4E (0.76) KDM4EALDH1A1HPGDATMCYP1A2
SCHEMBL28812863 0.87 KDM4E (0.77) KDM4EALDH1A1HPGDATMCYP1A2
SCHEMBL23212932 0.84 KDM4E (0.73) KDM4EALDH1A1HPGDATMCYP1A2
SCHEMBL29851452 0.84 KDM4E (0.73) KDM4EALDH1A1HPGDATMCYP1A2
SCHEMBL6243624 0.83 KDM4E (0.80) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL28428943 0.83 KDM4E (0.71) KDM4EALDH1A1HPGDATMCYP1A2
SCHEMBL14134647 0.83 KDM4E (1.00) KDM4EALDH1A1HPGDATMCYP1A2
3-Acetylcoumarin SCHEMBL31097378 0.81 MAOB (1.00) KDM4EALDH1A1HPGDCYP1A2CYP2C9
3-Acetylcoumarin SCHEMBL181862 0.81 MAOB (1.00) KDM4EALDH1A1HPGDCYP1A2CYP2C9

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111455004-B Method for synthesizing coumarin-3-carboxylic acid-6' -O-D-mannose ester on line by lipase catalysis 浙江农林大学 2023-05-05 CN claimed
CN-111455005-B Method for synthesizing coumarin-3-carboxylic acid-6' -O-D-sucrose ester derivative on line enzymatically based on flow chemistry 浙江农林大学 2023-05-05 CN claimed
CN-111560408-B Method for synthesizing coumarin-3-carboxylic acid sugar ester derivative on line based on flow chemistry enzymatic catalysis 浙江工业大学 2022-11-25 CN claimed
CN-111560408-A Method for synthesizing coumarin-3-carboxylic acid sugar ester derivative on line based on flow chemistry enzymatic catalysis 浙江工业大学 2020-08-21 CN claimed
CN-111455005-A Method for synthesizing coumarin-3-carboxylic acid-6' -O-D-sucrose ester derivative through on-line enzymatic synthesis based on flow chemistry 浙江农林大学 2020-07-28 CN claimed
CN-111455004-A Method for synthesizing coumarin-3-carboxylic acid-6' -O-D-mannose ester on line under catalysis of lipase 浙江农林大学 2020-07-28 CN claimed
US-9127092-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2015-09-08 US claimed
US-20140187725-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2014-07-03 US claimed
CN-111455004-B Method for synthesizing coumarin-3-carboxylic acid-6' -O-D-mannose ester on line by lipase catalysis 浙江农林大学 2023-05-05 CN disclosed
CN-111455004-B Method for synthesizing coumarin-3-carboxylic acid-6' -O-D-mannose ester on line by lipase catalysis 浙江农林大学 2023-05-05 CN disclosed
CN-111455005-B Method for synthesizing coumarin-3-carboxylic acid-6' -O-D-sucrose ester derivative on line enzymatically based on flow chemistry 浙江农林大学 2023-05-05 CN disclosed
CN-111455005-B Method for synthesizing coumarin-3-carboxylic acid-6' -O-D-sucrose ester derivative on line enzymatically based on flow chemistry 浙江农林大学 2023-05-05 CN disclosed
CN-111560408-B Method for synthesizing coumarin-3-carboxylic acid sugar ester derivative on line based on flow chemistry enzymatic catalysis 浙江工业大学 2022-11-25 CN disclosed
CN-111560408-B Method for synthesizing coumarin-3-carboxylic acid sugar ester derivative on line based on flow chemistry enzymatic catalysis 浙江工业大学 2022-11-25 CN disclosed
EP-0888388-B1 FREE RADICAL POLYMER CHAIN INITIATION WITH UNREACTIVE UNSATURATES DU PONT (US) 2000-09-13 EP disclosed
US-6117958-A Free radical polymer chain initiation with unreactive unsaturates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-09-12 US disclosed
CN-1227569-A Free radical polymer chain initiation with unreactive unsatuates DU PONT (US) 1999-09-01 CN disclosed
US-5883206-A Free radical polymer chain initiation with unreactive unsaturates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-16 US disclosed
EP-0888388-A1 FREE RADICAL POLYMER CHAIN INITIATION WITH UNREACTIVE UNSATURATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-07 EP disclosed
WO-1997034934-A1 FREE RADICAL POLYMER CHAIN INITIATION WITH UNREACTIVE UNSATURATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-09-25 WO disclosed