SCHEMBL14719802

SCHEMBL14719802

CCCCCOOC(=O)OOCCCCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
CES2 O00748 3/20 0.45
EPHX1 P07099 1/20 0.43
TSHR P16473 3/20 0.42
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
DGKA P23743 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HCAR2 Q8TDS4 2/20 0.41
CES1 P23141 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKR1B1 P15121 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
SCHEMBL3155224 0.92 ALDH1A1 (0.48) NAAACES2EPHX1TSHRDGKA
SCHEMBL1960272 0.91 NAAA (0.48) NAAACES2EPHX1TSHRLPAR3
SCHEMBL2217467 0.89 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL6761300 0.87 NAAA (0.55) NAAAEPHX1TSHRDGKAALDH1A1
SCHEMBL7064624 0.87 NAAA (0.55) NAAAEPHX1TSHRDGKAALDH1A1
SCHEMBL3134246 0.87 NAAA (0.55) NAAAEPHX1TSHRDGKAALDH1A1
SCHEMBL8894962 0.87 NAAA (0.45) NAAACES2EPHX1TSHRLPAR3
SCHEMBL10476907 0.87 NAAA (0.55) NAAAEPHX1TSHRDGKAALDH1A1
SCHEMBL2940549 0.87 NAAA (0.55) NAAAEPHX1TSHRDGKAALDH1A1
SCHEMBL382595 0.85 NAAA (0.48) NAAACES2EPHX1TSHRDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748243-B1 BROMINATED FLAME RETARDANT, ANTIMONY OXIDE FREE POLYMER FORMULATIONS CHEMTURA CORP (US) 2015-11-18 EP disclosed
CN-104795595-A Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-07-22 CN disclosed
CN-102498605-B Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-05-20 CN disclosed
US-8889770-B2 Brominated flame retardant, antimony oxide free polymer formulations CHEMTURA CORPORATION (US) 2014-11-18 US disclosed
EP-2748243-A1 BROMINATED FLAME RETARDANT, ANTIMONY OXIDE FREE POLYMER FORMULATIONS Chemtura Corporation (US) 2014-07-02 EP disclosed
WO-2014027251-A2 AMINOPYRIDINE COMPOUNDS AND THEIR USES MS THERAPEUTICS LIMITED (GB) 2014-02-20 WO disclosed
US-20140024621-A1 AMINOPYRIDINE COMPOUNDS AND THEIR USES MS THERAPEUTICS LIMITED (GB) 2014-01-23 US disclosed
US-20130053482-A1 Brominated Flame Retardant, Antimony Oxide Free Polymer Formulations CHEMTURA CORPORATION (US) 2013-02-28 US disclosed
WO-2013028344-A1 BROMINATED FLAME RETARDANT, ANTIMONY OXIDE FREE POLYMER FORMULATIONS CHEMTURA CORPORATION (US) 2013-02-28 WO disclosed
CN-102498605-A Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2012-06-13 CN 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-20140024621-A1 AMINOPYRIDINE COMPOUNDS AND THEIR USES DNPEP, PEPD, ANPEP NAAA 66/4885CES2 89/4885EPHX1 504/4885

“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.