SCHEMBL12200321

SCHEMBL12200321

CC(O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA2A P08913 5/20 0.47
ADRA2B P18089 5/20 0.47
ADRA2C P18825 5/20 0.47
ADRA1A P35348 4/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1B P35368 3/20 0.47
KMT2A Q03164 1/20 0.45

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
SCHEMBL31087888 1.00 CYP1A2 (0.56) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
SCHEMBL1154786 1.00 CYP1A2 (0.56) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
SCHEMBL30270396 1.00 CYP1A2 (0.56) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
SCHEMBL1155486 1.00 CYP1A2 (0.56) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
SCHEMBL110315 1.00 CYP1A2 (0.56) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
Acetic Acid SCHEMBL7515736 0.90 ALDH1A1 (0.47) CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL6055103 0.88 HPRT1 (0.54) CYP1A2ALDH1A1CYP2C9CYP2C19
Tetrahydrofuran SCHEMBL971565 0.86 CYP1A2 (0.43) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
SCHEMBL5191146 0.86 SLC6A4 (0.45) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
SCHEMBL19667842 0.85 CYP1A2 (0.46) CYP1A2ALDH1A1CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834562-A Poria cocos acidic polysaccharide chiral stationary phase and application thereof 云南中医药大学 2024-10-25 CN claimed
CN-113813939-B Application of COF material based on C ═ C bond connection in preparation of chiral chromatography stationary phase 上海交通大学 2022-08-12 CN claimed
CN-114146696-A Metal organic framework composite material chiral chromatography stationary phase based on post-modification technology 北京工商大学 2022-03-08 CN claimed
CN-108101741-B Method for synthesizing chiral alcohol by alkyne hydration/asymmetric hydrogenation tandem 三峡大学 2021-06-29 CN claimed
CN-112409845-A Printing ink TCL集团股份有限公司 2021-02-26 CN claimed
CN-109180496-B Method for synthesizing cinacalcet by using chemical-enzymatic method 浙江大学 2021-02-09 CN claimed
CN-103642849-A Method of asymmetrically reducing 1-acetonaphthone to optically pure (S)-1-naphthyl-1-ethanol and screening method TIANJIN ENGINEERING CT OF FOOD PROC 2014-03-19 CN claimed
EP-4722326-A1 COMPOSITION Nippon Shokubai Co., Ltd. (JP) 2026-04-08 EP disclosed
US-20250297047-A1 AMINO-GROUP-CONTAINING COPOLYMER NIPPON SHOKUBAI CO., LTD. (JP) 2025-09-25 US disclosed
CN-116102430-B Alkylation synthesis method for in-situ catalytic alcohols 中山大学 2025-03-14 CN disclosed
EP-4516827-A1 AMINO-GROUP-CONTAINING COPOLYMER Nippon Shokubai Co., Ltd. (JP) 2025-03-05 EP disclosed
CN-119504333-A Preparation method and application of 2-methyl-6-alkyl naphthalene 煤炭科学技术研究院有限公司 2025-02-25 CN disclosed
CN-118909207-B Micron-sized polymer microsphere and preparation method and application thereof 长园新能源材料研究院(广东)有限公司 2025-02-07 CN disclosed
CN-1360583-A Novel compounds, their use and preparation BIOWHEAT RHOM AB (SE) 2002-07-24 CN disclosed
CN-1303382-A Epoxidation process for aryl allyl ethers DOW CHEMICAL CO (US) 2001-07-11 CN disclosed
CN-1266904-A Process for preparing stereoisomer carboxylate BASF AG (DE) 2000-09-20 CN disclosed
CN-1255489-A Method for preparing cyclopropane carboxylic ester SUMITOMO CHEM ENG (JP) 2000-06-07 CN disclosed
CN-1049883-C Separating agent for optical isomers DAICEL CHEM (JP) 2000-03-01 CN disclosed
CN-1046265-C Process for the production of plasticizer and polyol esters EXXON CHEMICAL PATENTS INC (US) 1999-11-10 CN disclosed
CN-1130375-A Separating agent for optical isomers DAICEL CHEM (JP) 1996-09-04 CN disclosed