SCHEMBL4186243

SCHEMBL4186243

CCCCCCCCCC(=O)N[C@@H](/C=C/P(=O)(OCC)OCC)Cc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
LPAR3 Q9UBY5 8/20 0.50
LPAR1 Q92633 7/20 0.50
GRIA1 P42261 1/20 0.45
TLR2 O60603 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ENPP2 Q13822 1/20 0.42
FAAH O00519 2/20 0.42

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
SCHEMBL4187801 1.00 CNR1 (0.53) CNR1LPAR3LPAR1GRIA1TLR2
SCHEMBL4174364 1.00 CNR1 (0.53) CNR1LPAR3LPAR1GRIA1TLR2
SCHEMBL4187790 1.00 CNR1 (0.53) CNR1LPAR3LPAR1GRIA1TLR2
SCHEMBL4190947 1.00 CNR1 (0.53) CNR1LPAR3LPAR1GRIA1TLR2
SCHEMBL4191446 1.00 CNR1 (0.53) CNR1LPAR3LPAR1GRIA1TLR2
SCHEMBL4183430 1.00 CNR1 (0.53) CNR1LPAR3LPAR1GRIA1TLR2
SCHEMBL4183470 0.99 CNR1 (0.51) CNR1LPAR3LPAR1GRIA1TLR2
SCHEMBL4185123 0.84 LPAR3 (0.50) LPAR3LPAR1ITGB3ITGA2B
SCHEMBL4187715 0.84 LPAR3 (0.50) LPAR3LPAR1ITGB3ITGA2B
SCHEMBL4190836 0.84 LPAR3 (0.50) LPAR3LPAR1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283339-B2 Vinyl phosphonate lysophosphatidic acid receptor antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-09 US disclosed
US-8283339-B2 Vinyl phosphonate lysophosphatidic acid receptor antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-09 US disclosed
US-8283339-B2 Vinyl phosphonate lysophosphatidic acid receptor antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-09 US disclosed
US-20090197835-A1 VINYL PHOSPHONATE LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-08-06 US disclosed
US-20090197835-A1 VINYL PHOSPHONATE LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-08-06 US disclosed
US-20090197835-A1 VINYL PHOSPHONATE LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-08-06 US disclosed
WO-2008014286-A1 VINYL PHOSPHONATE LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-01-31 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 (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-20090197835-A1 VINYL PHOSPHONATE LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR4, LPAR5 CNR1 153/4885LPAR3 6/4885LPAR1 1/4885

“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.