SCHEMBL9611250

SCHEMBL9611250

COC[C@H](CCO)OCCO

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR6 P43657 2/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR4 Q99677 2/20 0.35
LPAR5 Q9H1C0 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4670276 1.00 LPAR6 (0.35) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL14643062 0.87 LPAR6 (0.38) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL7777378 0.84
SCHEMBL7776041 0.83 TSHR (0.41) LPAR1LPAR2LPAR3ALDH1A1TSHR
SCHEMBL6658678 0.82 ALDH1A1 (0.46) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL4847179 0.82 MEN1 (0.35) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL14000853 0.82 ALDH1A1 (0.33) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL7771270 0.82 ALDH1A1 (0.33) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL10592766 0.81 LPAR1 (0.55) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL14642724 0.80 LPAR1 (0.39) LPAR6LPAR1LPAR4LPAR5LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136037-A1 DEUTERIUM-ENRICHED RUBOXISTAURIN PROTIA, LLC (US) 2012-05-31 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-20120136037-A1 DEUTERIUM-ENRICHED RUBOXISTAURIN RDX, HRH3, QDPR LPAR6 4125/4885LPAR1 4254/4885LPAR4 4141/4885

“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.