SCHEMBL15919078

SCHEMBL15919078

CCOC(=O)C(c1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1)C1COC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.41
LPL P06858 12/20 0.41
SLC6A2 P23975 4/20 0.36
SLC6A3 Q01959 4/20 0.36
SLC6A4 P31645 3/20 0.36
ESR2 Q92731 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL15919077 0.97 LIPG (0.39) LIPGLPLSLC6A2SLC6A3SLC6A4
SCHEMBL15912508 0.85 LIPG (0.46) LIPGLPLESR2CA1CA2
SCHEMBL15912516 0.81 ESR2 (0.39) LIPGLPLESR2CA1CA2
SCHEMBL15919073 0.80 HSD11B1 (0.41) SLC6A2SLC6A3SLC6A4
SCHEMBL1773884 0.77 LIPG (0.46) LIPGLPLESR2CA1CA2
SCHEMBL15919074 0.76 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4
SCHEMBL10572 0.76 LIPG (0.45) LIPGLPLESR2CA1CA2
SCHEMBL21309214 0.76 LIPG (0.45) LIPGLPLESR2CA1CA2
SCHEMBL10670 0.74 LIPG (0.44) LIPGLPLESR2CA1CA2
SCHEMBL11007 0.73 LIPG (0.43) LIPGLPLESR2CA1CA2

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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 LIPG 97/4885LPL 111/4885SLC6A2 3165/4885

“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.