SCHEMBL5608453

SCHEMBL5608453

COC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.71
▸ RAB9A P51151 3/20 0.71
▸ TSHR P16473 1/20 0.69
▸ CA1 P00915 2/20 0.64
▸ CA2 P00918 2/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ PARP10 Q53GL7 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ CASP3 P42574 1/20 0.59
▸ SENP8 Q96LD8 1/20 0.59
▸ SENP7 Q9BQF6 1/20 0.59
▸ SENP6 Q9GZR1 1/20 0.59
▸ SRD5A2 P31213 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ERCC5 P28715 1/20 0.56
▸ FEN1 P39748 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL9242690 1.00 MAPT (0.71) MAPTRAB9ATSHRCA1CA2
SCHEMBL28345649 0.94 SRD5A2 (0.68) MAPTRAB9ATSHRCA1CA2
Diphenylether SCHEMBL10690245 0.94 TSHR (0.79) MAPTRAB9ATSHRCA1CA2
SCHEMBL69218 0.92 CA1 (0.75) MAPTRAB9ATSHRCA1CA2
SCHEMBL9242685 0.91 RAB9A (0.65) MAPTRAB9ATSHRCA1CA2
SCHEMBL7776449 0.90 MAPT (0.64) MAPTRAB9ATSHRCA1CA2
SCHEMBL31413635 0.88 CA1 (0.64) MAPTRAB9ATSHRCA1CA2
SCHEMBL22724726 0.88 ALDH1A1 (0.72) MAPTRAB9ATSHRCA1CA2
SCHEMBL22724720 0.88 ALDH1A1 (0.72) MAPTRAB9ATSHRCA1CA2
SCHEMBL11411879 0.86 CA1 (0.62) MAPTRAB9ATSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039221-A Synthesis method of roflumilast 沈阳药科大学 2024-11-29 — — CN claimed
CN-116041228-B Synthesis method of bumetanide 沈阳希贝康医药科技有限公司 2024-03-12 — — CN claimed
CN-109096420-B Catalyst for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 — — CN claimed
CN-119285426-A Synthesis method of diaryl acetylene 南京工业大学 2025-01-10 — — CN disclosed
CN-119039221-A Synthesis method of roflumilast 沈阳药科大学 2024-11-29 — — CN disclosed
CN-118652155-A Synthesis method of diaryl acetylene 南京工业大学 2024-09-17 — — CN disclosed
CN-116041228-B Synthesis method of bumetanide 沈阳希贝康医药科技有限公司 2024-03-12 — — CN disclosed
CN-115073468-B Preparation and application of imidazopyrazines BTK inhibitor 药雅科技(上海)有限公司 2023-12-22 — — CN disclosed
CN-116623198-A Method for preparing aromatic carbonyl compound by electrochemical oxidation reaction and aromatic carbonyl compound 南开大学 2023-08-22 — — CN disclosed
CN-115160098-B Oxygen-containing compound deoxidization methylation method 中国科学院兰州化学物理研究所 2023-06-06 — — CN disclosed
CN-116041228-A Synthesis method of bumetanide 沈阳希贝康医药科技有限公司 2023-05-02 — — CN disclosed
EP-0760359-B1 Method for preparing aromatic carbonate MITSUBISHI GAS CHEMICAL CO (JP) 1999-10-20 — — EP disclosed
US-5714627-A REACTING A DIALKYL CARBONATE WITH AN AROMATIC CARBOXYLIC ACID ARYL ESTER IN THE PRESENCE OF A CATALYST MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-02-03 — — US disclosed
EP-0760359-A1 Method for preparing aromatic carbonate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-03-05 — — EP disclosed
US-4910206-A Endotoxin induced lung injury SANDOZ PHARMACEUTICALS CORP. (US) 1990-03-20 — — US disclosed
EP-0148883-B1 ALLOPURINOL PRODRUGS A/S GEA Farmaceutisk Fabrik (DK) 1990-02-14 — — EP disclosed
US-4694006-A Acyl- or acyloxymethyl-allopurinol prodrugs A/S GEA (DK) 1987-09-15 — — US disclosed
EP-0148883-A1 ALLOPURINOL PRODRUGS. GEA AS (DK) 1985-07-24 — — EP disclosed
WO-1985000368-A1 ALLOPURINOL PRODRUGS A/S GEA (DK) 1985-01-31 — — WO disclosed
US-4042603-A SUBSTITUTED DIBENZOFURAN OR 9-FLUORENONE FROM A DIPHENYL ETHER OR BENZOPHENONE UBE INDUSTRIES, LTD. (JA) 1977-08-16 — — US disclosed
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