SCHEMBL978796

SCHEMBL978796

CC(C)c1cccc(OOC(C)(C)C)c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
GABRB2 P47870 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL1500442 0.89 GABRA1 (0.34) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL578687 0.88 TSHR (0.33) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL28147955 0.87 MAPK1 (0.47) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL27510370 0.86 GABRA1 (0.44) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL30363481 0.86 GABRA1 (0.44) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL181204 0.85 CYP1A2 (0.40) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL29350441 0.85 CYP1A2 (0.40) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL809484 0.84 GABRA1 (0.41) GABRA1GABRG2GABRB3CYP1A2CYP3A4
Benzene SCHEMBL28562494 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL28500346 0.83 GABRA1 (0.43) GABRA1GABRG2GABRB3CYP1A2CYP3A4

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 1605 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823335-A Block type dispersing agent, preparation method, electrode slurry, electrode plate and battery 上海三瑞高分子材料股份有限公司 2025-04-15 CN claimed
CN-118251456-A Molded part of flame retardant elastomer composition for structural fire protection and method for manufacturing corresponding molded part 喜利得股份公司 2024-06-25 CN claimed
CN-118176372-A Toothed belt 阪东化学株式会社 2024-06-11 CN claimed
CN-113993944-B Functionalized triazine compounds, compositions comprising such compounds, and cured fluoropolymer articles 3M创新有限公司 2024-01-30 CN claimed
CN-117209909-A High-hardness EPDM (ethylene-propylene-diene monomer) sizing material for carbon dioxide refrigerating system and preparation method thereof 常州朗博密封科技股份有限公司 2023-12-12 CN claimed
CN-114437426-B Thermoplastic vulcanized rubber composition, thermoplastic vulcanized rubber, and preparation method and application thereof 中国石油化工股份有限公司 2023-11-10 CN claimed
CN-116948080-A High-temperature flexural modulus modifier and synthetic method and application thereof 宁波公牛电器有限公司 2023-10-27 CN claimed
CN-114437425-B Thermoplastic vulcanized rubber composition, thermoplastic vulcanized rubber, and preparation method and application thereof 中国石油化工股份有限公司 2023-08-15 CN claimed
CN-113881118-B NBR (nitrile butadiene rubber) rubber with low compression set and preparation process thereof 南阳天一密封股份有限公司 2023-07-14 CN claimed
CN-110950901-B Silicone resin, method for producing the same, resin composition, prepreg, laminated board, insulating board, circuit board, and coverlay film 苏州生益科技有限公司 2023-07-07 CN claimed
US-5262489-A Coaddition polymerization with p-alkylstyrenes in the presence of oxygen, peroxide and azo compounds EXXON CHEMICAL PATENTS INC. 1993-11-16 US claimed
EP-0544767-A1 PROCESS FOR PRODUCING LOW MOLECULAR WEIGHT ISOOLEFIN POLYMERS. EXXON CHEMICAL PATENTS INC (US) 1993-06-09 EP claimed
WO-1992003484-A1 PROCESS FOR PRODUCING LOW MOLECULAR WEIGHT ISOOLEFIN POLYMERS EXXON CHEMICAL PATENTS INC. (US) 1992-03-05 WO claimed
EP-0472035-A2 Flame retardant crosslinkable polymeric compositions QUANTUM CHEMICAL CORPORATION (US) 1992-02-26 EP claimed
US-4945018-A WIRE AND CABLE INSULATION, PHOSPHATE OR PHOSPHONATE COMPOUND GENERAL ELECTRIC COMPANY (US) 1990-07-31 US claimed
US-4803020-A OF ORGANIC PEROXIDES AND POLYBUTADIENE RESINS; GOOD TENSILE STRENGTH THE FIRESTONE TIRE & RUBBER COMPANY (US) 1989-02-07 US claimed
US-4692497-A CROSSLINKING POLYBUTADIENE WITH ZINC (METH)ACRYLATE USING TWO FREE RADICAL INITIATORS; GOLF BALLS ACUSHNET COMPANY (US) 1987-09-08 US claimed
EP-0163819-A2 Polyolefin compounds having improved thermal stability and conductors coated therewith Vulkor, Incorporated (US) 1985-12-11 EP claimed
US-4451589-A Method of improving processability of polymers and resulting polymer compositions KIMBERLY-CLARK CORPORATION (US) 1984-05-29 US claimed
US-4087486-A Polypropylene composition containing EPR STANDARD OIL COMPANY (INDIANA) (US) 1978-05-02 US claimed