SCHEMBL243910

SCHEMBL243910

CCCCc1ccccc1OO

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
ALOX5 P09917 1/20 0.50
PTGS2 P35354 1/20 0.50
LIPG Q9Y5X9 1/20 0.47
PPARA Q07869 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PPARG P37231 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MPO P05164 1/20 0.41

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
SCHEMBL15515421 0.92 THRA (0.59) THRATHRBALOX5PTGS2LIPG
SCHEMBL27305174 0.92 THRA (0.59) THRATHRBALOX5PTGS2LIPG
SCHEMBL29768288 0.92 THRA (0.59) THRATHRBALOX5PTGS2LIPG
SCHEMBL3918964 0.88 PPARD (0.44) THRATHRBALOX5PTGS2TAAR1
SCHEMBL36193 0.83 THRA (0.49) THRATHRBALOX5PTGS2LIPG
SCHEMBL11606142 0.83 ALOX5 (0.50) THRATHRBALOX5PTGS2LIPG
SCHEMBL10891808 0.82 PPARD (0.44) THRATHRBTAAR1
SCHEMBL4466538 0.82 MAPT (0.46) THRATHRBTAAR1
Propylene Glycol SCHEMBL28311713 0.82 ALOX5 (0.50) THRATHRBALOX5PTGS2LIPG
SCHEMBL29368559 0.82 TAAR1 (0.62) ALOX5PTGS2PPARATAAR1MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347331-A1 PROCESS FOR PRODUCING CUMENE AND/OR SEC-BUTYLBENZENE USING A MIXED OLEFINS STREAM AS ALKYLATION AGENT SABIC Global Technologies B.V. (NL) 2018-07-18 EP claimed
WO-2017042088-A1 PROCESS FOR PRODUCING CUMENE AND/OR SEC-BUTYLBENZENE USING A MIXED OLEFINS STREAM AS ALKYLATION AGENT SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-03-16 WO claimed
WO-2014039653-A2 OXIDATION OF HYDROCARBONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-03-13 WO claimed
WO-2010042268-A1 PROCESS FOR PRODUCING SEC-BUTYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-04-15 WO claimed
WO-2007093359-A1 PROCESS FOR PRODUCING SEC-BUTYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-08-23 WO claimed
EP-1603856-A1 PROCESS FOR CLEAVAGE OF AN OXIDATION MIXTURE COMPRISING HYDROPEROXIDES SHELL OIL COMPANY (US) 2005-12-14 EP claimed
WO-2004074227-A1 PROCESS FOR CLEAVAGE OF ANF OXIDATION MIXTURE COMPRISING HYDROPEROXIDES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-09-02 WO claimed
JP-6032747-A None JP disclosed
EP-3732220-A1 CONTROLLABLE-CURE URETHANE ACRYLATE RESIN COMPOSITIONS AND METHODS OF MAKING SAME Dow Global Technologies LLC (US) 2020-11-04 EP disclosed
EP-2292573-B1 METHOD FOR PRODUCING AN ALKYLATED AROMATIC COMPOUND AND METHOD FOR PRODUCING PHENOL MITSUI CHEMICALS INC (JP) 2018-01-10 EP disclosed
US-20160251289-A1 USE OF ALKANE SULFONIC ACID FOR PREPARING PHENOLIC ALCOHOL ARKEMA FRANCE (FR) 2016-09-01 US disclosed
EP-3013795-A1 PROCESS FOR CONCENTRATING A MIXTURE CONTAINING ORGANIC HYDROPEROXIDE ExxonMobil Chemical Patents Inc. (US) 2016-05-04 EP disclosed
EP-2103584-B1 METHOD FOR PRODUCING ALKYLATED AROMATIC COMPOUND AND METHOD FOR PRODUCING PHENOL MITSUI CHEMICALS INC (JP) 2014-12-31 EP disclosed
EP-1199295-A1 Process for the cleavage of alkylaryl hydroperoxides INEOS Phenol GmbH & Co. KG (DE) 2002-04-24 EP disclosed
WO-2001074767-A1 METHOD FOR PRODUCING AROMATIC ALCOHOLS, ESPECIALLY PHENOL DEGUSSA AG (DE) 2001-10-11 WO disclosed
WO-2001074742-A2 METHOD FOR OXIDIZING HYDROCARBONS DEGUSSA AG (DE) 2001-10-11 WO disclosed
EP-1088809-A1 Process for the preparation of phenol, acetone and methylethylketone Phenolchemie GmbH & Co. KG (DE) 2001-04-04 EP disclosed
JP-H0632747-A HYDROGENATION SUMITOMO CHEM CO LTD 1994-02-08 JP disclosed
EP-0573070-A2 Process for purifying phenol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-12-08 EP disclosed
EP-0395360-A1 Process for production of sec-butylbenzene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP 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-20160251289-A1 USE OF ALKANE SULFONIC ACID FOR PREPARING PHENOLIC ALCOHOL ADH1C, ADH1A, ADH5 THRA 3360/4885THRB 4001/4885ALOX5 71/4885

“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.