SCHEMBL1131597

SCHEMBL1131597

CC(C)Cc1ccc(CC(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.56
▸ PTGS2 P35354 4/20 0.56
▸ LMNA P02545 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ AKR1C3 P42330 2/20 0.56
▸ CXCR1 P25024 2/20 0.56
▸ CXCR2 P25025 2/20 0.56
▸ ALOX5 P09917 2/20 0.56
▸ ALB P02768 1/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ RARB P10826 1/20 0.56
▸ ADRB3 P13945 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ NR1I3 Q14994 1/20 0.56
▸ SLC22A6 Q4U2R8 1/20 0.56
▸ CXCL8 P10145 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ AKR1C2 P52895 1/20 0.56
▸ BLM P54132 1/20 0.56

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
SCHEMBL5174938 0.97 PTGS1 (0.54) PTGS1PTGS2LMNACYP2C9AKR1C3
Hydrogen Peroxide SCHEMBL9581174 0.94 PTGS1 (0.64) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8120565 0.91 PTGS1 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8636154 0.91 MEN1 (0.53) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9176049 0.91 PTGS1 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL1178159 0.88 PTGS1 (0.48) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL5496261 0.88 PTGS1 (0.48) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL196656 0.88 PTGS1 (0.48) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL12269181 0.88 PTGS1 (0.48) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL10760082 0.88 PTGS1 (0.48) PTGS1PTGS2LMNACYP2C9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237365-B1 CYCLOALKANE OXIDATION CATALYSTS AND METHOD TO PRODUCE ALCOHOLS AND KETONES RHODIA OPERATIONS (FR) 2018-11-28 — — EP claimed
EP-2877439-B1 CYCLOALKANE OXIDATION CATALYSTS AND METHOD TO PRODUCE ALCOHOLS AND KETONES RHODIA OPERATIONS (FR) 2018-02-14 — — EP claimed
EP-2986585-B1 CYCLOALKANE OXIDATION CATALYSTS AND METHOD TO PRODUCE ALCOHOLS AND KETONES RHODIA OPERATIONS (FR) 2017-06-21 — — EP claimed
US-20160089318-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 — — US claimed
EP-1580190-B1 OXIDATION OF A CARBON-CARBON DOUBLE BOND OF DIALLYL ETHER FOR THE PRODUCTION OF ALLYL GLYCIDYL ETHER SHOWA DENKO KK (JP) 2013-10-23 — — EP claimed
EP-1778604-B1 PROCESS FOR PRODUCING SEC-BUTYL BENZENE EXXONMOBIL CHEM PATENTS INC (US) 2010-01-20 — — EP claimed
EP-1490300-B1 TITANOSILICATE, PROCESS FOR ITS PRODUCTION, AND ITS USE IN PRODUCING OXIDIZED COMPOUND SHOWA DENKO KK (JP) 2009-04-08 — — EP claimed
EP-1778605-B1 PROCESS FOR PRODUCING PHENOL AND METHYL ETHYL KETONE EXXONMOBIL CHEM PATENTS INC (US) 2008-08-20 — — EP claimed
EP-0772577-B1 CHLOROALKYLATION OF AROMATIC COMPOUNDS ALBEMARLE CORP (US) 1998-12-16 — — EP claimed
EP-0488638-B1 BF3 catalyzed acetylation of butylbenzene HOECHST CELANESE CORP (US) 1997-01-02 — — EP claimed
EP-0338852-B1 Process for the carbonylation of arylalkyl halides HOECHST CELANESE CORP (US) 1994-11-30 — — EP claimed
EP-0395360-B1 Process for production of sec-butylbenzene SUMITOMO CHEMICAL CO (JP) 1994-03-16 — — EP claimed
EP-0356236-B1 CHLOROETHYLATION OF AROMATIC HYDROCARBONS ETHYL CORPORATION (US) 1993-03-31 — — EP claimed
EP-0356235-B1 BROMOETHYLATION OF AROMATIC HYDROCARBONS ETHYL CORPORATION (US) 1993-03-31 — — EP claimed
US-3959226-A ISOMERIZATION; FRIEDEL-CRAFTS CATALYST UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-05-25 — — US claimed
US-12304922-B1 Low pressure process for synthesis of Pt(PF3)4 involving a soluble intermediate and storage of obtained Pt(PF3)4 L'Air Liquide, Société Anonyme pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) 2025-05-20 — — US disclosed
CN-119823516-A Polymer composite material, method of using the same, low dielectric resin composition, prepreg, and metal foil laminate 李长荣化学工业股份有限公司 2025-04-15 — — CN disclosed
US-4120937-A Process for the production of halosilicon acids and organic silicon acid compounds and resinous products BLOUNT DAVID H 1978-10-17 — — US disclosed
US-3959226-A ISOMERIZATION; FRIEDEL-CRAFTS CATALYST UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-05-25 — — US disclosed
US-3932528-A STABILIZATION WITH A NITROGEN BASE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-13 — — US disclosed
Send feedback