SCHEMBL4968027

SCHEMBL4968027

CC(C)Cc1cc(O)cc(CC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
GPR84 Q9NQS5 1/20 0.43
ACHE P22303 1/20 0.42
PTGS2 P35354 5/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CYP3A4 P08684 2/20 0.38
SLC6A2 P23975 2/20 0.38
PTGS1 P23219 3/20 0.38
LMNA P02545 3/20 0.38
CYP2C9 P11712 3/20 0.38
AKR1C3 P42330 2/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
ESR1 P03372 2/20 0.38
NFKB1 P19838 2/20 0.38
HTR2A P28223 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
ALB P02768 1/20 0.38

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
SCHEMBL6442439 0.95 GABRA1 (0.48) GABRA1GABRB2GPR84ACHEPTGS2
SCHEMBL5164582 0.91 GABRA1 (0.42) GABRA1GABRB2GPR84ACHEPTGS2
SCHEMBL5164118 0.87 PTGS2 (0.48) GABRA1GABRB2GPR84PTGS2CYP3A4
SCHEMBL3960595 0.86 ALDH1A1 (0.50) GABRA1GABRB2GPR84ACHEPTGS2
SCHEMBL1312347 0.86 GABRA1 (0.46) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL5166193 0.84 GABRA1 (0.41) GABRA1GABRB2GPR84PTGS2CYP3A4
SCHEMBL5165183 0.84 PTGS2 (0.60) GPR84ACHEPTGS2CYP3A4SLC6A2
SCHEMBL21580259 0.82 ACHE (0.40) ACHEPTGS2TAAR1CYP3A4SLC6A2
Phenol SCHEMBL28093153 0.81 CA12 (0.48) GABRA1GABRB2PTGS2TAAR1SLC6A2
SCHEMBL5167911 0.81 GABRA1 (0.56) GABRA1GABRB2GPR84LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053992-A1 Biodiesel LANXESS Deutschland GmbH (DE) 2016-08-10 EP claimed
CN-113164941-B Catalyst system comprising a metathesis catalyst and at least one phenolic compound and method for metathesis of nitrile rubber (NBR) using the catalyst system 阿朗新科德国有限责任公司 2023-12-12 CN disclosed
CN-114315883-B Dibenzofuran phenol IVB metal complex and preparation method thereof, catalyst system and olefin polymerization method 万华化学集团股份有限公司 2023-10-20 CN disclosed
US-11673130-B2 Catalyst system containing a metathesis catalyst and at least one phenolic compound and a process for metathesis of nitrile-butadiene rubber (NBR) using the catalyst system ARLANXEO DEUTSCHLAND GMBH (DE) 2023-06-13 US disclosed
CN-112358498-B Tetraaryloxy IVB group binuclear metal complex and preparation and application thereof 万华化学集团股份有限公司 2023-03-03 CN disclosed
CN-112142775-B Phenolphenanthroline IVB group metal complex and preparation and application thereof 万华化学集团股份有限公司(CN) 2023-01-13 CN disclosed
CN-114315883-A Dibenzofuran phenol IVB group metal complex, preparation method thereof, catalyst system and olefin polymerization method 万华化学集团股份有限公司 2022-04-12 CN disclosed
US-20220032279-A1 CATALYST SYSTEM CONTAINING A METATHESIS CATALYST AND AT LEAST ONE PHENOLIC COMPOUND AND A PROCESS FOR METATHESIS OF NITRILE-BUTADIENE RUBBER (NBR) USING THE CATALYST SYSTEM ARLANXEO DEUTSCHLAND GMBH (DE) 2022-02-03 US disclosed
EP-3894074-A2 CATALYST SYSTEM CONTAINING A METATHESIS CATALYST AND AT LEAST ONE PHENOLIC COMPOUND AND A PROCESS FOR METATHESIS OF NITRILE-BUTADIENE RUBBER (NBR) USING THE CATALYST SYSTEM ARLANXEO Deutschland GmbH (DE) 2021-10-20 EP disclosed
CN-113164941-A Catalyst system comprising a metathesis catalyst and at least one phenolic compound and process for the metathesis of nitrile rubber (NBR) using the catalyst system 阿朗新科德国有限责任公司 2021-07-23 CN disclosed
CN-1248584-A Modified aluminium-oxygen base compound, polymerizing catalyst, and process for producing olefine polymer and alkenyl aromatic hydrocarbon polymer SUMITOMO CHEMICAL CO (JP) 2000-03-29 CN disclosed
EP-0985673-A2 Modified aluminium oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-15 EP disclosed
US-4542192-A Reactive hardenable polymer mixture and process for the preparation of hardened products therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-17 US disclosed
EP-0005868-B1 WATER-SOLUBLE REACTIVE BINDING AGENTS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE MANUFACTURE OF COATINGS AND ADHESIVES HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-18 EP disclosed
EP-0002284-B1 REACTIVE CURABLE POLYMER MIXTURE AND PROCESS FOR PREPARING CURED PRODUCTS THEREFROM HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-01 EP disclosed
US-4240938-A COATINGS, ADHESIVES HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-23 US disclosed
EP-0005868-A1 Water-soluble reactive binding agents, process for their preparation and their use in the manufacture of coatings and adhesives HOECHST AKTIENGESELLSCHAFT (DE) 1979-12-12 EP disclosed
EP-0002284-A1 Reactive curable polymer mixture and process for preparing cured products therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-13 EP disclosed
US-4038327-A ANTIOXIDANTS FOR POLYOLEFINS THE QUAKER OATS COMPANY (US) 1977-07-26 US disclosed
US-3979218-A METHYLOL PHENOLS HOECHST AKTIENGESELLSCHAFT (DT) 1976-09-07 US disclosed