SCHEMBL13169171

SCHEMBL13169171

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(CC)COP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.46
LPAR3 Q9UBY5 7/20 0.46
LPAR2 Q9HBW0 5/20 0.46
S1PR1 P21453 1/20 0.41
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP19A1 P11511 2/20 0.38
RXRA P19793 2/20 0.38
PPARG P37231 2/20 0.38
OXER1 Q8TDS5 2/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.38
FABP3 P05413 2/20 0.36
ENPP2 Q13822 2/20 0.36
LPAR4 Q99677 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
CES2 O00748 1/20 0.36
LPAR6 P43657 1/20 0.36
TRPV1 Q8NER1 1/20 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
SCHEMBL13169172 0.89 LPAR1 (0.56) LPAR1LPAR3LPAR2S1PR1CYP3A4
SCHEMBL13169169 0.84 LPAR3 (0.41) LPAR1LPAR3LPAR2S1PR1CYP3A4
SCHEMBL3689369 0.79 ALDH1A1 (0.38) CYP3A4L3MBTL1ALDH1A1CYP19A1RXRA
SCHEMBL13169082 0.78 ADORA3 (0.44) CYP3A4L3MBTL1ALDH1A1CYP19A1RXRA
SCHEMBL3684974 0.77 ADORA3 (0.43) CYP3A4L3MBTL1ALDH1A1CYP19A1RXRA
SCHEMBL14036954 0.76 ALDH1A1 (0.37) CYP3A4L3MBTL1ALDH1A1CYP19A1RXRA
SCHEMBL13186384 0.76 ADORA3 (0.45) CYP3A4L3MBTL1ALDH1A1CYP19A1RXRA
SCHEMBL13169174 0.76 ALDH1A1 (0.38) CYP3A4L3MBTL1ALDH1A1CYP19A1RXRA
SCHEMBL13169076 0.75 ADORA3 (0.41) CYP3A4L3MBTL1ALDH1A1CYP19A1RXRA
SCHEMBL27488645 0.75 CYP3A4 (0.55) LPAR1LPAR3LPAR2CYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240616-A1 NOVEL LIPID COMPOUNDS PRONOVA BIOPHARMA NORGE AS (NO) 2010-09-23 US disclosed
US-20100240616-A1 NOVEL LIPID COMPOUNDS PRONOVA BIOPHARMA NORGE AS (NO) 2010-09-23 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 (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-20100240616-A1 NOVEL LIPID COMPOUNDS ELOVL3, FFAR3, STARD3 LPAR1 73/4885LPAR3 9/4885LPAR2 36/4885

“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.