SCHEMBL406972

SCHEMBL406972

Cc1ccc(C(C)OO)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
ACHE P22303 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.39
STAT3 P40763 1/20 0.36
KEAP1 Q14145 3/20 0.35
NFE2L2 Q16236 3/20 0.35
LMNA P02545 6/20 0.35
TSHR P16473 2/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9549683 0.89 ESR1 (0.39) ALOX5ALOX12ALDH1A1
SCHEMBL10587272 0.82 TYR (0.43) ALOX12ALDH1A1SMN1; SMN2
SCHEMBL10670145 0.79 ACHE (0.44) CHRNA7ACHETDP1ALOX5STAT3
SCHEMBL8750364 0.79 CHRNA7 (0.50) CHRNA7ACHETDP1ALOX5STAT3
Cumene Hydroperoxide SCHEMBL7524874 0.79 ALDH1A1 (0.59) ACHEKEAP1NFE2L2LMNATSHR
SCHEMBL11781825 0.78 ADRB2 (0.50) TDP1LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL17226284 0.78 IDO1 (0.43) ACHEALDH1A1
SCHEMBL10454546 0.77 CHRNA7 (0.42) CHRNA7ACHETDP1ALOX5LMNA
SCHEMBL18800689 0.77 HCAR2 (0.47) LMNATSHRALOX12HSD17B10ALDH1A1
SCHEMBL297137 0.77 HCAR2 (0.47) LMNATSHRALOX12HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446227-A Contacting alpha-methyl benzylic hydroperoxide with organic sulfide to produce corresponding hydroxide and oxygenated sulfur compound, treating hydroxide with base PHILLIPS PETROLEUM COMPANY (US) 1995-08-29 US claimed
US-11789363-B2 Positive photosensitive resin composition, cured film therefrom, and solid state image sensor comprising the same TORAY INDUSTRIES, INC. (JP) 2023-10-17 US disclosed
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents LEHMANN LUTZ (DE) 2012-03-15 US disclosed
EP-1494984-B1 PROCESS FOR PREPARING PHENOLS INEOS PHENOL GMBH & CO KG (DE) 2007-09-12 EP disclosed
CN-1217902-C Method for crackikng alkylaryl hydroperoxide CARBOLIC ACID CHEMICAL CO LTD (DE) 2005-09-07 CN disclosed
US-6875898-B2 Process for preparing phenols INEOS PHENOL GMBH & CO. KG (DE) 2005-04-05 US disclosed
EP-1494984-A1 PROCESS FOR PREPARING PHENOLS INEOS Phenol GmbH & Co. KG (DE) 2005-01-12 EP disclosed
EP-1366006-A1 PROCESS FOR PREPARING PHENOLS INEOS Phenol GmbH & Co. KG (DE) 2003-12-03 EP disclosed
US-20030220528-A1 Process for preparing phenols BARCLAYS BANK PLC (IN ITS CAPACITY AS SECURITY TRUSTEE FOR ITSELF AND OTHER SECURED PARTIES) (GB) 2003-11-27 US disclosed
WO-2003084909-A1 PROCESS FOR PREPARING PHENOLS INEOS PHENOL GMBH & CO. KG (DE) 2003-10-16 WO disclosed
CN-1348944-A Method for crackikng alkylaryl hydroperoxide CARBOLIC ACID CHEMICAL CO LTD (DE) 2002-05-15 CN disclosed
EP-1199295-A1 Process for the cleavage of alkylaryl hydroperoxides INEOS Phenol GmbH & Co. KG (DE) 2002-04-24 EP disclosed
US-20020045781-A1 Process for the cleavage of alkylaryl hydroperoxides PHENOLCHEMIE GMBH & CO. KG (DE) 2002-04-18 US disclosed
US-5446227-A Contacting alpha-methyl benzylic hydroperoxide with organic sulfide to produce corresponding hydroxide and oxygenated sulfur compound, treating hydroxide with base PHILLIPS PETROLEUM COMPANY (US) 1995-08-29 US disclosed
EP-0032255-B1 PROCESS FOR THE DIRECT NEUTRALISATION OF A REACTION MIXTURE RESULTING FROM THE ACID CLEAVAGE OF AN ALPHA-HYDROXY DERIVATIVE OF AN ALKYL-SUBSTITUTED AROMATIC HYDROCARBON AND THE REMOVAL OF THE FORMED SALT UOP INC. (US) 1984-03-14 EP disclosed
US-4333801-A Recovery of a cumene/alpha-methylstyrene fraction from a mixture thereof with phenol and water UOP INC. (US) 1982-06-08 US disclosed
US-4299991-A Formation of hydroperoxides THE STANDARD OIL COMPANY (US) 1981-11-10 US disclosed
EP-0032255-A1 Process for the direct neutralisation of a reaction mixture resulting from the acid cleavage of an alpha-hydroxy derivative of an alkyl-substituted aromatic hydrocarbon and the removal of the formed salt UOP INC. (US) 1981-07-22 EP disclosed
US-4262151-A Process for the recovery of phenol from a reaction mixture resulting from the acid cleavage of cumene hydroperoxide UOP INC. (US) 1981-04-14 US disclosed
US-3948995-A Process for converting alkylaromatic hydroperoxides into phenolic products and carbonyl products RHONE-POULENC-TEXTILE (FR) 1976-04-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents CYP4B1, CYP2B6, UGT2B7 CHRNA7 267/4885ACHE 1629/4885TDP1 3292/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.