SCHEMBL6338694

SCHEMBL6338694

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.63
LPAR1 Q92633 9/20 0.56
LPAR3 Q9UBY5 6/20 0.56
LPAR4 Q99677 2/20 0.56
LPAR5 Q9H1C0 2/20 0.56
LPAR2 Q9HBW0 2/20 0.56
CES2 O00748 1/20 0.56
LPAR6 P43657 1/20 0.56
TRPV1 Q8NER1 1/20 0.56
S1PR1 P21453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL8153693 1.00 ENPP2 (0.63) ENPP2LPAR1LPAR3LPAR4LPAR5
SCHEMBL6338696 1.00 ENPP2 (0.63) ENPP2LPAR1LPAR3LPAR4LPAR5
SCHEMBL6336879 0.88 PRKCA (0.58) ENPP2LPAR1LPAR3RECQLBLM
SCHEMBL6336882 0.88 PRKCA (0.58) ENPP2LPAR1LPAR3RECQLBLM
SCHEMBL6340267 0.86 PRKCA (0.46) ENPP2LPAR1LPAR3LPAR4LPAR5
SCHEMBL6340272 0.86 PRKCA (0.46) ENPP2LPAR1LPAR3LPAR4LPAR5
SCHEMBL16520373 0.83 PRKCA (0.42) ENPP2LPAR1LPAR3RECQLBLM
SCHEMBL16705768 0.81 PRKCE (0.42) ENPP2LPAR1LPAR3RECQLBLM
SCHEMBL16520369 0.81 PPARG (0.46) LPAR1
SCHEMBL16520382 0.80 LPAR1 (0.42) ENPP2LPAR1LPAR3RECQLBLM

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-6911553-B1 Osteoblast-specific mitogens and drugs containing such compounds ROCHE DIAGNOSTICS GMBH (DE) 2005-06-28 US disclosed
US-20050014723-A1 Osteoblast-specific mitogens and drugs containing such compounds ESSWEIN ANGELIKA (DE) 2005-01-20 US disclosed
US-6197759-B1 ADMINISTERING LYSOPHOSPHATIDYLIC ACID DERIVATIVE ROCHE DIAGNOSTICS GMBH (DE) 2001-03-06 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-20050014723-A1 Osteoblast-specific mitogens and drugs containing such compounds LPAR1, LPAR2, LPAR4 ENPP2 9/4885LPAR1 1/4885LPAR3 7/4885

“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.