SCHEMBL17133147

SCHEMBL17133147

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CC)OC(=O)CCCCCCC/C=C\CC

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
CYP3A4 P08684 1/20 0.69
ALOX15 P16050 1/20 0.69
TSHR P16473 1/20 0.69
HSD17B10 Q99714 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
PRKCA P17252 2/20 0.67
PRKCE Q02156 1/20 0.67
PRKCQ Q04759 1/20 0.67
PRKCD Q05655 1/20 0.67
LMNA P02545 1/20 0.61
SELP P16109 1/20 0.61
NR1I2 O75469 1/20 0.60
PGR P06401 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
PTGS2 P35354 1/20 0.60
PDE4D Q08499 1/20 0.60
FAAH O00519 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL17667964 1.00 ALDH1A1 (0.69) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL17667965 1.00 ALDH1A1 (0.69) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL17133159 1.00 ALDH1A1 (0.69) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL114353 1.00 ALDH1A1 (0.69) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL17133158 0.96 PRKCA (0.74) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL17133162 0.96 PRKCA (0.74) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL17133154 0.96 PRKCA (0.74) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL21660342 0.96 PRKCA (0.74) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL14299186 0.96 PRKCA (0.74) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL12431704 0.96 PRKCA (0.74) ALDH1A1CYP3A4ALOX15TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000442-B2 Certain metathesized natural oil triacylglycerol polyols for use in polyurethane applications and their related properties TRENT UNIVERSITY (CA) 2018-06-19 US disclosed
US-10000442-B2 Certain metathesized natural oil triacylglycerol polyols for use in polyurethane applications and their related properties TRENT UNIVERSITY (CA) 2018-06-19 US disclosed
US-20150299099-A1 CERTAIN METATHESIZED NATURAL OIL TRIACYLGLYCEROL POLYOLS FOR USE IN POLYURETHANE APPLICATIONS AND THEIR RELATED PROPERTIES TRENT UNIVERSITY (CA) 2015-10-22 US disclosed
US-20150299099-A1 CERTAIN METATHESIZED NATURAL OIL TRIACYLGLYCEROL POLYOLS FOR USE IN POLYURETHANE APPLICATIONS AND THEIR RELATED PROPERTIES TRENT UNIVERSITY (CA) 2015-10-22 US disclosed
WO-2015143563-A1 CERTAIN METATHESIZED NATURAL OIL TRIACYLGLYCEROL POLYOLS FOR USE IN POLYURETHANE APPLICATIONS AND THEIR RELATED PHYSICAL PROPERTIES TRENT UNIVERSITY (CA) 2015-10-01 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 (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-10000442-B2 Certain metathesized natural oil triacylglycerol polyols for use in polyurethane applications and their related properties NOTUM, MGLL, DAGLA ALDH1A1 2654/4885CYP3A4 3473/4885ALOX15 32/4885
US-20150299099-A1 CERTAIN METATHESIZED NATURAL OIL TRIACYLGLYCEROL POLYOLS FOR USE IN POLYURETHANE APPLICATIONS AND THEIR RELATED PROPERTIES NOTUM, MGLL, DAGLA ALDH1A1 2654/4885CYP3A4 3473/4885ALOX15 32/4885

“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.