SCHEMBL6286760

SCHEMBL6286760

CC(C)c1c(OO)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 7/20 0.60
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FGB P02675 1/20 0.40
ALOX15 P16050 1/20 0.40
TNNI3 P19429 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
TNNT2 P45379 1/20 0.40
CASP7 P55210 1/20 0.40
TNNC1 P63316 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL15077329 0.83 MAPT (0.60) NCEH1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11580706 0.83 NCEH1 (0.44) NCEH1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL13323849 0.81 MAPT (0.58) NCEH1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL8609951 0.80 NCEH1 (0.44) NCEH1MAPTCYP1A2HSD17B10ALDH1A1
SCHEMBL10136521 0.79 NCEH1 (0.54) NCEH1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL682421 0.79 KMT2A (0.55) NCEH1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL22416830 0.78 MAPT (0.69) NCEH1MAPTHSD17B10MEN1KMT2A
SCHEMBL8610673 0.77 NCEH1 (0.42) NCEH1CYP1A2HSD17B10ALDH1A1CYP2A6
SCHEMBL21871919 0.77 NCEH1 (0.52) NCEH1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11811124 0.77 NCEH1 (0.33) NCEH1ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622350-B1 PROCESS FOR PRODUCING AROMATIC HYDROXYLIC COMPOUND MITSUI PETROCHEMICAL IND (JP) 1998-04-15 EP claimed
US-5475157-A Decomposing a hydroperoxide in the presence of an acid catalyst; by-product inhibition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-12-12 US claimed
EP-0622350-A1 PROCESS FOR PRODUCING AROMATIC HYDROXYLIC COMPOUND MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-11-02 EP claimed
US-5023383-A Catalytic reducing aromatic hydroperoxides MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-06-11 US claimed
US-4049720-A CONTINUOUS, OXIDIZING ISOPROPYLNAPHTHALENE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-09-20 US claimed
US-20160251289-A1 USE OF ALKANE SULFONIC ACID FOR PREPARING PHENOLIC ALCOHOL ARKEMA FRANCE (FR) 2016-09-01 US disclosed
US-6965056-B1 Removal of salts in the manufacture of phenolic compound SHELL OIL COMPANY (US) 2005-11-15 US disclosed
US-6720461-B2 ADDING WATER AND A DILUENT TO FORM A SEPARABLE CRUDE PHENOLIC BOTTOMS STREAM HAVING A COMBINED DENSITY LOWER THAN THE DENSITY OF THE BOTTOMS; SEPARATING OUT A HYDROCARBON PHASE AND A SALT-CONTAINING AQUEOUS PHASE; PHENOLS FROM PEROXIDES SHELL OIL COMPANY 2004-04-13 US disclosed
EP-1175384-B1 REMOVAL OF SALTS IN THE MANUFACTURE OF PHENOLIC COMPOUND SHELL INT RESEARCH (NL) 2003-09-10 EP disclosed
EP-1175384-A1 REMOVAL OF SALTS IN THE MANUFACTURE OF PHENOLIC COMPOUND SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2002-01-30 EP disclosed
US-20010000260-A1 Removal of salts in the manufacture of phenolic compound SHELL OIL COMPANY 2001-04-12 US disclosed
WO-2000066523-A1 REMOVAL OF SALTS IN THE MANUFACTURE OF PHENOLIC COMPOUND SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2000-11-09 WO disclosed
EP-0028910-B1 IMPROVED PROCESS FOR PRODUCING PHENOLIC COMPOUNDS FROM ARALKYL HYDROPEROXIDES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-04-20 EP disclosed
US-4328377-A ACID CLEAVAGE OF ARYL HYDROPEROXIDES MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1982-05-04 US disclosed
EP-0028910-A1 Improved process for producing phenolic compounds from aralkyl hydroperoxides MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-05-20 EP disclosed
US-4266081-A Process for preparation of peroxides MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1981-05-05 US disclosed
US-4049720-A CONTINUOUS, OXIDIZING ISOPROPYLNAPHTHALENE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-09-20 US disclosed
US-4034047-A CONDENSED POLYACRYLONITRILE TRANSITION METAL COMPLEX CATALYST SUNTECH, INC. (US) 1977-07-05 US disclosed
US-4021495-A Purification of β-naphthol SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-05-03 US disclosed
US-3939211-A BETA-ISOPROPYLNAPHTHALENE HYDROPEROXIDE FROM BETA-ISOPROPYLNAPHTHALENE AND OXYGEN, HEAVY METAL CONTAINING CATALYST AMERICAN CYANAMID COMPANY (US) 1976-02-17 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 (2 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-20160251289-A1 USE OF ALKANE SULFONIC ACID FOR PREPARING PHENOLIC ALCOHOL ADH1C, ADH1A, ADH5 NCEH1 491/4885MAPT 3236/4885CYP1A2 186/4885
US-20010000260-A1 Removal of salts in the manufacture of phenolic compound SRMS, AGT, TYR NCEH1 3204/4885MAPT 1284/4885CYP1A2 562/4885

“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.