SCHEMBL380176

SCHEMBL380176

O=C(O)CCCCCCC(CC(O)CO)(CC(O)CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
LMNA P02545 2/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
GPR84 Q9NQS5 4/20 0.42
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 3/20 0.42
PRMT1 Q99873 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
PPARG P37231 5/20 0.36
PPARD Q03181 5/20 0.36
PPARA Q07869 5/20 0.36
HDAC11 Q96DB2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36

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
SCHEMBL3502848 1.00 TSHR (0.43) TSHRLMNANFKB1PMP22GPR84
SCHEMBL3503244 1.00 TSHR (0.43) TSHRLMNANFKB1PMP22GPR84
SCHEMBL3501718 1.00 TSHR (0.43) TSHRLMNANFKB1PMP22GPR84
SCHEMBL10800123 1.00 TSHR (0.43) TSHRLMNANFKB1PMP22GPR84
SCHEMBL3503242 1.00 TSHR (0.43) TSHRLMNANFKB1PMP22GPR84
SCHEMBL29540422 0.93 CAMK2A (0.38) TSHRLMNANFKB1PMP22GPR84
Stearic Acid SCHEMBL1531462 0.92 FFAR4 (0.54) TSHRGPR84FFAR1FFAR4PPARG
SCHEMBL15642708 0.89 FFAR4 (0.54) TSHRGPR84FFAR1FFAR4PPARG
SCHEMBL8680832 0.89 FFAR4 (0.54) TSHRGPR84FFAR1FFAR4PPARG
SCHEMBL5738656 0.89 FFAR4 (0.54) TSHRGPR84FFAR1FFAR4PPARG

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-2382177-B1 PREPARATION OF ESTERS AND POLYOLS BY INITIAL OXIDATIVE CLEAVAGE OF FATTY ACIDS FOLLOWED BY ESTERIFICATION REACTIONS BATTELLE MEMORIAL INSTITUTE (US) 2019-03-13 EP disclosed
EP-2382294-B1 USE OF FATTY ACIDS AS FEED MATERIAL IN POLYOL PROCESS BATTELLE MEMORIAL INSTITUTE (US) 2019-02-13 EP disclosed
EP-2382293-B1 SOLVENT-LESS PREPARATION OF POLYOLS BY OZONOLYSIS BATTELLE MEMORIAL INSTITUTE (US) 2019-01-16 EP disclosed
EP-2382292-B1 PRE-ESTERIFICATION OF PRIMARY POLYOLS TO IMPROVE SOLUBILITY IN SOLVENTS USED IN POLYOL PROCESS BATTELLE MEMORIAL INSTITUTE (US) 2018-02-21 EP disclosed
EP-2308955-B1 METHODS FOR PRODUCTION OF POLYOLS FROM OILS AND THEIR USE IN THE PRODUCTION OF POLYESTERS AND POLYURETHANES BATTELLE MEMORIAL INSTITUTE (US) 2017-02-22 EP disclosed
US-8877952-B2 Pre-esterification of primary polyols to improve solubility in solvents used in the polyol process BATTELLE MEMORIAL INSTITUTE (US) 2014-11-04 US disclosed
US-8871960-B2 Preparation of esters and polyols by initial oxidative cleavage of fatty acids followed by esterification reactions BATTELLE MEMORIAL INSTITUTE (US) 2014-10-28 US disclosed
US-8859794-B2 Use of fatty acids as feed material in polyol process BATTELLE MEMORIAL INSTITUTE (US) 2014-10-14 US disclosed
US-8624047-B2 Solvent-less preparation of polyols by ozonolysis BATTELLE MEMORIAL INSTITUTE (US) 2014-01-07 US disclosed
US-8178703-B2 Methods for production of polyols from oils and their use in the production of polyesters and polyurethanes BATTELLE MEMORIAL INSTITUTE (US) 2012-05-15 US disclosed
WO-2010078505-A1 PREPARATION OF ESTERS AND POLYOLS BY INITIAL OXIDATIVE CLEAVAGE OF FATTY ACIDS FOLLOWED BY ESTERIFICATION REACTIONS BATTELLE MEMORIAL INSTITUTE (US) 2010-07-08 WO disclosed
WO-2010078491-A1 PRE-ESTERIFICATION OF PRIMARY POLYOLS TO IMPROVE SOLUBILITY IN SOLVENTS USED IN POLYOL PROCESS BATTELLE MEMORIAL INSTITUTE (US) 2010-07-08 WO disclosed
WO-2010078498-A1 USE OF FATTY ACIDS AS FEED MATERIAL IN POLYOL PROCESS BATTELLE MEMORIAL INSTITUTE (US) 2010-07-08 WO disclosed
WO-2010078493-A1 SOLVENT-LESS PREPARATION OF POLYOLS BY OZONOLYSIS BATTELLE MEMORIAL INSTITUTE (US) 2010-07-08 WO disclosed
US-20090216040-A1 Methods For Production Of Polyols From Oils And Their Use In the Production of Polyesters and Polyurethanes BATTELLE MEMORIAL INSTITUTE (US) 2009-08-27 US disclosed
EP-1883690-A2 METHODS FOR PRODUCTION OF POLYOLS FROM OILS AND THEIR USE IN THE PRODUCTION OF POLYESTERS AND POLYURETHANES BATTELLE MEMORIAL INSTITUTE (US) 2008-02-06 EP disclosed
WO-2007027223-A2 METHODS FOR PRODUCTION OF POLYOLS FROM OILS AND THEIR USE IN THE PRODUCTION OF POLYESTERS AND POLYURETHANES BATTELLE MEMORIAL INSTITUTE (US) 2007-03-08 WO disclosed
EP-0079629-B1 THERMOSETTING RESINOUS BINDER COMPOSITIONS, THEIR PREPARATION AND THEIR USE AS COATING MATERIALS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-05-15 EP disclosed
US-4405662-A CROSSLINKER HAVING GAMMA-HYDROXYL OR AMINO GROUP SHELL OIL COMPANY (US) 1983-09-20 US disclosed
EP-0079629-A1 Thermosetting resinous binder compositions, their preparation and their use as coating materials SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-05-25 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-20090216040-A1 Methods For Production Of Polyols From Oils And Their Use In the Production of Polyesters and Polyurethanes FASN, MGLL, PUF60 TSHR 4494/4885LMNA 706/4885NFKB1 3843/4885

“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.