SCHEMBL18204271

SCHEMBL18204271

CCC=CCCCCCCCC(=O)OCC(C)CO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.62
ALDH1A1 P00352 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
PRKCA P17252 2/20 0.59
PRKCE Q02156 1/20 0.59
PRKCQ Q04759 1/20 0.59
PRKCD Q05655 1/20 0.59
FAAH O00519 2/20 0.52
NR1I2 O75469 1/20 0.51
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
PTGS2 P35354 1/20 0.51
PDE4D Q08499 1/20 0.51
LPAR1 Q92633 6/20 0.49
ENPP2 Q13822 3/20 0.49
LPAR4 Q99677 2/20 0.49

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
SCHEMBL18204270 1.00 DGKA (0.62) DGKAALDH1A1CYP3A4ALOX15TSHR
SCHEMBL19862089 0.91 DGKA (0.74) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL19862075 0.91 DGKA (0.74) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL19862081 0.91 DGKA (0.74) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL19862072 0.91 DGKA (0.74) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL19862083 0.90 DGKA (0.59) DGKAALDH1A1CYP3A4ALOX15TSHR
SCHEMBL19862082 0.90 DGKA (0.59) DGKAALDH1A1CYP3A4ALOX15TSHR
SCHEMBL19862086 0.90 DGKA (0.59) DGKAALDH1A1CYP3A4ALOX15TSHR
SCHEMBL19862077 0.90 DGKA (0.59) DGKAALDH1A1CYP3A4ALOX15TSHR
SCHEMBL19123778 0.88 ALDH1A1 (0.73) DGKAALDH1A1CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327346-A1 POLYOL ESTERS OF METATHESIZED FATTY ACIDS AND USES THEREOF ELEVANCE RENEWABLE SCIENCES, INC. (US) 2018-11-15 US disclosed
US-9963420-B2 Polyol esters of metathesized fatty acids and uses thereof ELEVANCE RENEWABLE SCIENCES, INC. (US) 2018-05-08 US disclosed
US-20160326089-A1 Polyol Esters of Metathesized Fatty Acids and Uses Thereof ELEVANCE RENEWABLE SCIENCES, INC. (US) 2016-11-10 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 (2 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-20180327346-A1 POLYOL ESTERS OF METATHESIZED FATTY ACIDS AND USES THEREOF MGLL, LIPA, DGAT2 DGKA 44/4885ALDH1A1 2392/4885CYP3A4 2997/4885
US-20160326089-A1 Polyol Esters of Metathesized Fatty Acids and Uses Thereof MGLL, LIPA, DGAT2 DGKA 44/4885ALDH1A1 2392/4885CYP3A4 2997/4885

“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.