SCHEMBL2969906

SCHEMBL2969906

CC(C)(O)c1cccc(C(C)(C)OO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
ALOX15 P16050 1/20 0.59
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPK1 P28482 1/20 0.37
PGK1 P00558 2/20 0.35
PGK2 P07205 2/20 0.35
NR4A2 P43354 1/20 0.35
KCNH2 Q12809 1/20 0.35
ACHE P22303 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PTPRC P08575 1/20 0.33
NLRP3 Q96P20 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
SYK P43405 1/20 0.31

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
SCHEMBL2969176 0.91 ALDH1A1 (0.70) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL304190 0.84 ESR1 (0.50) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL11094902 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15MEN1KMT2A
SCHEMBL9174482 0.82 ALDH1A1 (0.47) ALDH1A1ALOX15SYKMEN1KMT2A
SCHEMBL31013616 0.80 MAPK1 (0.48) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL12537689 0.80 MAPK1 (0.48) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL4251026 0.80 ESR1 (0.52) ALDH1A1ALOX15ESR1ESR2PGK1
SCHEMBL7718229 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL29472192 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL5550696 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15MAPK1KCNH2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468723-A1 METHOD FOR HANDLING AN AQUEOUS SOLUTION CONTAINING A WATER-SOLUBLE SUBSTANCE, METHOD FOR MANUFACTURING ALKYLBENZENE HYDROPEROXIDES, AND METHOD FOR MANUFACTURING HYDROXYBENZENES Sumitomo Chemical Company, Limited (JP) 2012-06-27 EP claimed
US-20120149942-A1 METHOD FOR HANDLING AQUEOUS SOLUTION CONTAINING WATER-SOLUBLE SUBSTANCE, METHOD FOR MANUFACTURING ALKYLBENZENE HYDROPEROXIDE, AND METHOD FOR MANUFACTURING HYDROXYBENZENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-14 US claimed
US-5962747-A OXIDIZING 1,3-DIISOPROPYLBENZENE; EXTRACTION; CIRCULATION SUMITOMO CHEMICAL CO., LTD. (JP) 1999-10-05 US claimed
US-5959155-A 1,3-DI-(2-HYDROPEROXY-2-PROPYL)BENZENE AND 3-(2-HYDROXY-2-PROPYL)-1-(2-HYDROPEROXY-2-PROPYL)BENZENE ARE EXTRACTED; USING METHYL ISOBUTYL KETONE CONTAINING NOT MORE THAN 10 PPM BY WEIGHT OF A PHENOL OR PHENOLS AS A SOLVENT. SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-28 US claimed
JP-10175949-A None JP disclosed
JP-63239241-A None JP disclosed
EP-2468723-A1 METHOD FOR HANDLING AN AQUEOUS SOLUTION CONTAINING A WATER-SOLUBLE SUBSTANCE, METHOD FOR MANUFACTURING ALKYLBENZENE HYDROPEROXIDES, AND METHOD FOR MANUFACTURING HYDROXYBENZENES Sumitomo Chemical Company, Limited (JP) 2012-06-27 EP disclosed
US-20120149942-A1 METHOD FOR HANDLING AQUEOUS SOLUTION CONTAINING WATER-SOLUBLE SUBSTANCE, METHOD FOR MANUFACTURING ALKYLBENZENE HYDROPEROXIDE, AND METHOD FOR MANUFACTURING HYDROXYBENZENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-14 US disclosed
US-7763755-B2 Continuous liquid phase peroxidation of m-diiopropylbenzene tom-(2-hydroperoxy-2-propyl)benzene by extracting the reaction liquid with an alkaline aqueous solution; recyclingby-products contained in oil layer and reacting at a higher temperature; efficiency SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-27 US disclosed
US-20090203943-A1 Continuous liquid phase peroxidation of m-diiopropylbenzene tom-(2-hydroperoxy-2-propyl)benzene by extracting the reaction liquid with an alkaline aqueous solution; recyclingby-products contained in oil layer and reacting at a higher temperature; efficiency SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2009-08-13 US disclosed
EP-1988074-A1 PROCESS FOR PRODUCTION OF DIALKYLHYDROPEROXYBENZENES Sumitomo Chemical Company, Limited (JP) 2008-11-05 EP disclosed
JP-2007084445-A METHOD FOR PRODUCING 1,3-DI-(2-HYDROPEROXY-2-PROPYL)-BENZENE SUMITOMO CHEMICAL CO LTD 2007-04-05 JP disclosed
JP-H10175949-A EXTRACTION OF HYDROPEROXIDE SUMITOMO CHEM CO LTD 1998-06-30 JP disclosed
CN-1185434-A Extraction method for hydroperoxide SUMITOMO CHEMICAL CO (JP) 1998-06-24 CN disclosed
JP-S63239241-A PRODUCTION OF HYDROXYBENZENES MITSUI PETROCHEM IND LTD 1988-10-05 JP disclosed
EP-0021848-B1 PROCESS AND APPARATUS FOR THE PREPARATION OF PHENOLS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-04-13 EP disclosed
US-4334108-A Process and apparatus for preparation of phenols MITSU PETROCHEMICAL INDUSTRIES LTD. (JP) 1982-06-08 US disclosed
EP-0021848-A1 Process and apparatus for the preparation of phenols MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-01-07 EP disclosed
US-4230890-A PRECIPITATION BY TREATING AN ORGANIC SOLUTION OF HYDROCARBON OXIDATES WITH AN ALKALI METAL HYDROXIDE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-10-28 US disclosed
US-4229597-A DECOMPOSITION OF M-DIISOPROPYLBENZENE DIHYDROPEROXIDE WITH AN ALUMINA-SILICA CATALYST IN A DISPERSION OF A KETONE AND AN AROMATIC HYDROCARBON SOLVENTS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1980-10-21 US disclosed