SCHEMBL440465

SCHEMBL440465

C=CCOC(=O)C(C)C.CC(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 4/20 0.40
CYP3A4 P08684 1/20 0.38
MAPT P10636 3/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL536216 0.93
SCHEMBL15567757 0.91 TDP1 (0.47) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL31443227 0.85 TDP1 (0.43) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL3459899 0.83 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
Lactic Acid SCHEMBL27586439 0.81 TP53 (0.46) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL6476278 0.79 TDP1 (0.48) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL8461367 0.79 TDP1 (0.39) TDP1TSHRCYP3A4MAPTALDH1A1
SCHEMBL6368830 0.78 TDP1 (0.41) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL35945 0.77
SCHEMBL366726 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883690-B1 METHODS FOR PRODUCTION OF POLYOLS FROM OILS AND THEIR USE IN THE PRODUCTION OF POLYESTERS AND POLYURETHANES BATTELLE MEMORIAL INSTITUTE (US) 2012-01-25 EP disclosed
US-20110269982-A1 USE OF FATTY ACIDS AS FEED MATERIAL IN 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-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
EP-2382177-A1 Preparation of esters and polyols by initial oxidative cleavage of fatty acids followed by esterification reactions Battelle Memorial Institute (US) 2011-11-02 EP disclosed
EP-2382294-A1 USE OF FATTY ACIDS AS FEED MATERIAL IN POLYOL PROCESS Battelle Memorial Institute (US) 2011-11-02 EP disclosed
EP-2382292-A1 PRE-ESTERIFICATION OF PRIMARY POLYOLS TO IMPROVE SOLUBILITY IN SOLVENTS USED IN POLYOL PROCESS Battelle Memorial Institute (US) 2011-11-02 EP disclosed
EP-2382293-A1 SOLVENT-LESS PREPARATION OF POLYOLS BY OZONOLYSIS Battelle Memorial Institute (US) 2011-11-02 EP 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

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

For each of this compound's patents that has machine-readable text (5 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 TDP1 2222/4885TSHR 4586/4885CYP3A4 337/4885
US-20110269978-A1 Solvent-less Preparation of Polyols by Ozonolysis MGLL, PUF60, DAGLA TDP1 642/4885TSHR 4522/4885CYP3A4 1367/4885
US-20110269982-A1 USE OF FATTY ACIDS AS FEED MATERIAL IN POLYOL PROCESS FASN, ACSL1, ELOVL1 TDP1 3957/4885TSHR 3468/4885CYP3A4 2377/4885
US-20110237812-A1 METHODS FOR PRODUCTION OF POLYOLS FROM OILS AND THEIR USE IN THE PRODUCTION OF POLYESTERS AND POLYURETHANES FASN, MGLL, PUF60 TDP1 1641/4885TSHR 4494/4885CYP3A4 1333/4885
US-20110269981-A1 Pre-Esterification Of Primary Polyols To Improve Solubility In Solvents Used In The Polyol Process MGLL, FASN, ELOVL1 TDP1 2252/4885TSHR 4652/4885CYP3A4 874/4885

“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.