SCHEMBL1890625

SCHEMBL1890625

C=C(C)C(=O)OC(CCCCC)CCCCCCCCCCOP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.57
LPAR1 Q92633 7/20 0.57
LPAR2 Q9HBW0 3/20 0.57
TSHR P16473 2/20 0.49
LPAR5 Q9H1C0 1/20 0.43
SMPD1 P17405 3/20 0.42
ENPP2 Q13822 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL23611255 0.97 LPAR3 (0.53) LPAR3LPAR1LPAR2TSHRLPAR5
SCHEMBL28634001 0.90 LPAR3 (0.46) LPAR3LPAR1LPAR2TSHRLPAR5
SCHEMBL7094395 0.88 LPAR3 (0.51) LPAR3LPAR1LPAR2LPAR5ENPP2
SCHEMBL890680 0.88 LPAR3 (0.51) LPAR3LPAR1LPAR2LPAR5ENPP2
SCHEMBL26109390 0.86 LPAR3 (0.49) LPAR3LPAR1LPAR2LPAR5ENPP2
SCHEMBL21853809 0.85 TSHR (0.55) TSHR
SCHEMBL6679717 0.85 TSHR (0.55) TSHR
SCHEMBL21647274 0.85 TSHR (0.55) TSHR
SCHEMBL21853813 0.85 TSHR (0.55) TSHR
SCHEMBL1702704 0.85 TSHR (0.55) TSHR

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-8158694-B2 Single component dental composition containing silane coupling agent and acidic group containing polymerizable monomer KABUSHIKI KAISHA SHOFU (JP) 2012-04-17 US disclosed
US-20110112209-A1 SINGLE-COMPONENT DENTAL COMPOSITION CONTAINING SILANE COUPLING AGENT AND ACIDIC GROUP-CONTAINING POLYMERIZABLE MONOMER TANAKA HISAKI 2011-05-12 US disclosed
US-20100069524-A1 Single-Component dental composition containing silane coupling agent and acidic group-containing polymerizable monomer KABUSHIKI KAISHA SHOFU 2010-03-18 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-20100069524-A1 Single-Component dental composition containing silane coupling agent and acidic group-containing polymerizable monomer CAD, ITGA1, CIB1 LPAR3 2298/4885LPAR1 1623/4885LPAR2 1884/4885
US-20110112209-A1 SINGLE-COMPONENT DENTAL COMPOSITION CONTAINING SILANE COUPLING AGENT AND ACIDIC GROUP-CONTAINING POLYMERIZABLE MONOMER CAD, ITGA1, CIB1 LPAR3 2298/4885LPAR1 1623/4885LPAR2 1884/4885

“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.