SCHEMBL29489425

SCHEMBL29489425

COc1cccc(-c2cccc(OC)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.73
CYP1A1 P04798 2/20 0.73
CYP1A2 P05177 2/20 0.73
CYP2E1 P05181 2/20 0.73
CYP2C8 P10632 2/20 0.73
CYP2D6 P10635 2/20 0.73
CYP2A6 P11509 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP4B1 P13584 2/20 0.73
CYP2B6 P20813 2/20 0.73
CYP3A5 P20815 2/20 0.73
CYP2A7 P20853 2/20 0.73
CYP3A7 P24462 2/20 0.73
CYP2F1 P24903 2/20 0.73
CYP2C18 P33260 2/20 0.73
CYP2C19 P33261 2/20 0.73
CYP2J2 P51589 2/20 0.73
CYP4F2 P78329 2/20 0.73
CYP4F8 P98187 2/20 0.73
CYP4A11 Q02928 2/20 0.73

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
SCHEMBL196765 1.00 CYP3A4 (0.73) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
Ammonia Solution, Strong SCHEMBL27960505 0.97 CYP3A4 (0.70) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL29628977 0.97 CYP3A4 (0.77) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
Hydrogen Sulfide SCHEMBL28640169 0.97 CYP3A4 (0.70) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL1180343 0.95 ABL1 (0.69) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL29740761 0.93 CYP1A1 (0.64) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL5620245 0.93 CYP3A4 (0.86) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL458391 0.93 CYP1A1 (0.64) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL13247865 0.91 ABL1 (0.64) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL792197 0.91 ABL1 (0.77) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111621135-B Application of carbamate compound as polyurethane lubricant 万华化学集团股份有限公司 2022-08-05 CN claimed
EP-4608895-A1 HIGH TEMPERATURE DIELECTRIC POLYMERS AND FILMS The Scripps Research Institute (US) 2025-09-03 EP disclosed
WO-2024215452-A1 COPOLYMER POLYOLS AND METHODS THEREOF ExxonMobil Technology and Engineering Company (US) 2024-10-17 WO disclosed
US-20240199787-A1 METHOD FOR THE PRODUCTION OF AN ISOCYANATE-GROUP TERMINATED POLYOXAZOLIDINONE COMPOSITION COVESTRO DEUTSCHLAND AG (DE) 2024-06-20 US disclosed
WO-2024091684-A1 POLYSULFATE AND POLYSULFONATE POLYMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-05-02 WO disclosed
CN-117263999-A Camptothecin prodrugs and pharmaceutical compositions thereof 天津和美奥康医药科技有限公司 2023-12-22 CN disclosed
US-11674039-B2 Polyamideimide resin composition and flourine-based coating material RESONAC CORPORATION (JP) 2023-06-13 US disclosed
CN-115368913-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 奇美实业股份有限公司 2022-11-22 CN disclosed
CN-110869445-B Hydraulic fluid and fuel resistant sealant PRC-迪索托国际公司 2022-10-14 CN disclosed
CN-115141570-A Adhesive sheet 日东电工(上海松江)有限公司 2022-10-04 CN disclosed
CN-111621135-B Application of carbamate compound as polyurethane lubricant 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-109085722-B Method for manufacturing liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2022-05-10 CN disclosed
EP-3979262-A1 ELECTRICALLY-INSULATING RESIN COMPOSITION AND ELECTRICAL INSULATOR Showa Denko Materials Co., Ltd. (JP) 2022-04-06 EP disclosed