SCHEMBL9899516

SCHEMBL9899516

CC(C)(O)c1ccccc1C(C)(C)OO

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.34
CA2 P00918 1/20 0.34
HSD11B1 P28845 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HSP90B1 P14625 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL2808073 0.91 ALDH1A1 (0.61) ALDH1A1ALOX15TSHRTDP1CYP3A4
SCHEMBL1421189 0.84 ALDH1A1 (0.54) ALDH1A1ALOX15TSHRTDP1MAPK1
SCHEMBL2059781 0.83 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRTDP1CYP3A4
SCHEMBL29506834 0.83 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRTDP1CYP3A4
SCHEMBL8740212 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRTDP1CYP3A4
SCHEMBL17029229 0.75 ALDH1A1 (0.56) ALDH1A1ALOX15TSHRTDP1CYP3A4
SCHEMBL18802732 0.75 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRTDP1CYP3A4
SCHEMBL29764509 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15TSHRTDP1CYP3A4
SCHEMBL29449728 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15TSHRTDP1CYP3A4
SCHEMBL28329679 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15TSHRTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4112244-A MULTISTAGE, FROM P-DIISOPROPYLBENZENE DIHYDROPEROXIDE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-09-05 US claimed
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
EP-0001043-B1 SYNTHESIS AND AQUEOUS RECOVERY OF HYDROQUINONE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-10-14 EP disclosed
EP-0001043-A2 Synthesis and aqueous recovery of hydroquinone THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-03-21 EP disclosed
US-4119791-A Aqueous recovery of hydroquinone THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-10-10 US disclosed
US-4112244-A MULTISTAGE, FROM P-DIISOPROPYLBENZENE DIHYDROPEROXIDE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-09-05 US disclosed
US-4112243-A Production of hydroquinone from nonaqueous solvent systems THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-09-05 US disclosed
US-3978142-A BY ACID REARRANGEMENT 3978142 MOD 3978142 AND CLEAVAGE OF ARALKYL TERTIARY POLYHYDROPEROXIDE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-08-31 US disclosed