SCHEMBL6901607

SCHEMBL6901607

CC(=O)c1cccc(O)c1C(C)=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.74
CA12 O43570 5/20 0.50
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
HMGB1 P09429 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL2483090 0.87 CA12 (0.64) THRBCA12CA1CA2CA7
SCHEMBL31024654 0.87 CA12 (0.64) THRBCA12CA1CA2CA7
SCHEMBL13715096 0.87 THRB (0.68) THRBCA12CA1CA2CA7
SCHEMBL105807 0.85 THRB (1.00) THRBCA12CA1CA2CA7
SCHEMBL600052 0.85 THRB (0.56) THRBKDM4EALDH1A1MAPTGAA
SCHEMBL20207068 0.85 THRB (0.59) THRBCA12CA1CA2CA7
SCHEMBL7824586 0.82 CA1 (0.74) THRBCA12CA1CA2CA7
SCHEMBL1667181 0.81 THRB (0.52) THRBKDM4EALDH1A1MAPTGAA
SCHEMBL10883365 0.79 THRB (0.56) THRBCA12CA1CA2CA7
SCHEMBL29645390 0.79 THRB (0.56) THRBCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025276-A Phenolic butane hapten compound, preparation method thereof, complete antigen and application 公安部第三研究所 2025-05-23 CN claimed
CN-119322128-A Method for measuring diacetyl phenol butyl and derivative thereof in tea beverage by high-resolution mass spectrum 梧州市食品药品检验所 2025-01-17 CN claimed
CN-118225927-A Method for determining content of phenolic butyl and ester derivatives and analogues thereof in ferment plums by ultra-high performance liquid chromatography-tandem mass spectrometry 江阴市食品安全检测中心 2024-06-21 CN claimed
CN-102516252-A Preparation method of Nedocromil sodium SICHUAN DIHON MEDICAL DEV CO LTD 2012-06-27 CN claimed
EP-1094056-B1 Process for the preparation of monoacetylated hydrochinone compounds BASF AG (DE) 2004-02-25 EP claimed
US-6476253-B1 Process for preparing monoacetylated hydroquinone compounds BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US claimed
CN-117447380-B Hapten and artificial antigen for simultaneously detecting phenolic butanes in weight-losing food and application thereof 华南农业大学 2025-08-01 CN disclosed
CN-117126123-B Hapten and artificial antigen for rapidly identifying phenolphthalein in weight-losing food and application thereof 华南农业大学 2025-05-27 CN disclosed
CN-120025276-A Phenolic butane hapten compound, preparation method thereof, complete antigen and application 公安部第三研究所 2025-05-23 CN disclosed
CN-119322128-A Method for measuring diacetyl phenol butyl and derivative thereof in tea beverage by high-resolution mass spectrum 梧州市食品药品检验所 2025-01-17 CN disclosed
CN-119322128-A Method for measuring diacetyl phenol butyl and derivative thereof in tea beverage by high-resolution mass spectrum 梧州市食品药品检验所 2025-01-17 CN disclosed
CN-119322128-A Method for measuring diacetyl phenol butyl and derivative thereof in tea beverage by high-resolution mass spectrum 梧州市食品药品检验所 2025-01-17 CN disclosed
CN-118225927-A Method for determining content of phenolic butyl and ester derivatives and analogues thereof in ferment plums by ultra-high performance liquid chromatography-tandem mass spectrometry 江阴市食品安全检测中心 2024-06-21 CN disclosed
CN-102290584-A Electrode catalyst for fuel cell 2011-12-21 CN disclosed
CN-101674886-A Electrode catalyst for fuel cell NAT INST OF ADVANCED IND SCIEN 2010-03-17 CN disclosed
US-6476253-B1 Process for preparing monoacetylated hydroquinone compounds BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
EP-0083839-B1 PROCESS FOR PRODUCING INORGANIC FIBER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-03-05 EP disclosed
US-4495121-A SPINNING A POLYMETALOXANE, CALCINING SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1985-01-22 US disclosed
EP-0083839-A2 Process for producing inorganic fiber SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-20 EP disclosed
US-4036818-A Method of preparing polymers of polyphenylene type KORSHAK VASILY VLADIMIROVICH 1977-07-19 US disclosed