SCHEMBL822981

SCHEMBL822981

CN(CCO)C(=O)CCCCCCCC(=O)N(C)CCO

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
EPHX2 P34913 2/20 0.46
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
KDM4A O75164 11/20 0.41
KDM4C Q9H3R0 11/20 0.41
KDM5A P29375 1/20 0.41
KDM7A Q6ZMT4 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL20725634 1.00 CNR1 (0.54) CNR1EPHX2BCHEACHEKDM4A
SCHEMBL18986434 0.98 CNR1 (0.56) CNR1EPHX2BCHEACHEKDM4A
SCHEMBL1982755 0.92 CNR1 (0.66) CNR1EPHX2KDM4CKDM5APHF8
SCHEMBL6852352 0.92 CNR1 (0.66) CNR1EPHX2KDM4CKDM5APHF8
SCHEMBL5195516 0.92 CNR1 (0.66) CNR1EPHX2KDM4CKDM5APHF8
SCHEMBL1498720 0.92 CNR1 (0.66) CNR1EPHX2KDM4CKDM5APHF8
SCHEMBL1498623 0.92 CNR1 (0.66) CNR1EPHX2KDM4CKDM5APHF8
SCHEMBL25702799 0.92 CNR1 (0.66) CNR1EPHX2KDM4CKDM5APHF8
SCHEMBL5192446 0.92 CNR1 (0.66) CNR1EPHX2KDM4CKDM5APHF8
SCHEMBL3673345 0.91 CNR1 (0.54) CNR1EPHX2BCHEACHEKDM4A

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 34 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-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-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-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-8859794-B2 Use of fatty acids as feed material in polyol process BATTELLE MEMORIAL INSTITUTE (US) 2014-10-14 US disclosed
US-7994354-B2 Methods for production of polyols from oils and their use in the production of polyesters and polyurethanes BATTELLE MEMORIAL INSTITUTE (US) 2011-08-09 US disclosed
US-7994354-B2 Methods for production of polyols from oils and their use in the production of polyesters and polyurethanes BATTELLE MEMORIAL INSTITUTE (US) 2011-08-09 US disclosed
EP-2308955-A1 Methods for production of polyols from oils and their use in the production of polyesters and polyurethanes BATTELLE MEMORIAL INSTITUTE (US) 2011-04-13 EP 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
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
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

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 CNR1 2482/4885EPHX2 252/4885BCHE 645/4885

“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.