SCHEMBL823216

SCHEMBL823216

CC/C=C\C/C=C\C/C=C\CC(=O)OCC(O)CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.56
DGKA P23743 1/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
DUSP3 P51452 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
ADORA3 P0DMS8 2/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
SELP P16109 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 2/20 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
SCHEMBL9905948 0.84 FAAH (0.68) FAAHDGKAKMT2AKDM4EDUSP3
SCHEMBL9905949 0.82 FAAH (0.82) FAAHDGKAKMT2AKDM4EDUSP3
SCHEMBL15451530 0.82 FAAH (0.82) FAAHDGKAKMT2AKDM4EDUSP3
SCHEMBL6894863 0.81 ADORA3 (0.47) FAAHKMT2AKDM4EMEN1LMNA
SCHEMBL16675431 0.81 ADORA3 (0.47) FAAHKMT2AKDM4EMEN1LMNA
SCHEMBL12415431 0.81 ADORA3 (0.47) FAAHKMT2AKDM4EMEN1LMNA
SCHEMBL6348381 0.81 LPAR1 (0.53) FAAH
SCHEMBL29376090 0.81 FAAH (0.80) FAAHDGKAKMT2AKDM4EDUSP3
1-Monolinolenin SCHEMBL23611226 0.80 FAAH (0.78) FAAHDGKAKMT2AKDM4EDUSP3
SCHEMBL13623309 0.80 FAAH (0.78) FAAHDGKAKMT2AKDM4EDUSP3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110269982-A1 USE OF FATTY ACIDS AS FEED MATERIAL IN POLYOL PROCESS BATTELLE MEMORIAL INSTITUTE (US) 2011-11-03 US disclosed
US-20110269981-A1 Pre-Esterification Of Primary Polyols To Improve Solubility In Solvents Used In The Polyol Process BATTELLE MEMORIAL INSTITUTE (US) 2011-11-03 US disclosed
US-20110269979-A1 Preparation of Esters and Polyols by Initial Oxidative Cleavage of Fatty Acids Followed by Esterification Reactions BATTELLE MEMORIAL INSTITUTE (US) 2011-11-03 US disclosed
US-20110269978-A1 Solvent-less Preparation of Polyols by Ozonolysis BATTELLE MEMORIAL INSTITUTE (US) 2011-11-03 US disclosed
US-20110237812-A1 METHODS FOR PRODUCTION OF POLYOLS FROM OILS AND THEIR USE IN THE PRODUCTION OF POLYESTERS AND POLYURETHANES BATTELLE MEMORIAL INSTITUTE (US) 2011-09-29 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
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

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

For each of this compound's patents that has machine-readable text (6 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-20110269979-A1 Preparation of Esters and Polyols by Initial Oxidative Cleavage of Fatty Acids Followed by Esterification Reactions FASN, ELOVL1, ACSL1 FAAH 61/4885DGKA 181/4885KMT2A 2762/4885
US-20110269978-A1 Solvent-less Preparation of Polyols by Ozonolysis MGLL, PUF60, DAGLA FAAH 107/4885DGKA 94/4885KMT2A 1500/4885
US-20110269982-A1 USE OF FATTY ACIDS AS FEED MATERIAL IN POLYOL PROCESS FASN, ACSL1, ELOVL1 FAAH 50/4885DGKA 176/4885KMT2A 1597/4885
US-20090216040-A1 Methods For Production Of Polyols From Oils And Their Use In the Production of Polyesters and Polyurethanes FASN, MGLL, PUF60 FAAH 103/4885DGKA 92/4885KMT2A 2232/4885
US-20110237812-A1 METHODS FOR PRODUCTION OF POLYOLS FROM OILS AND THEIR USE IN THE PRODUCTION OF POLYESTERS AND POLYURETHANES FASN, MGLL, PUF60 FAAH 103/4885DGKA 92/4885KMT2A 2232/4885
US-20110269981-A1 Pre-Esterification Of Primary Polyols To Improve Solubility In Solvents Used In The Polyol Process MGLL, FASN, ELOVL1 FAAH 179/4885DGKA 261/4885KMT2A 3406/4885

“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.