SCHEMBL15912508

SCHEMBL15912508

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 10/20 0.46
LPL P06858 9/20 0.46
ESR2 Q92731 1/20 0.37
P4HB P07237 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
F11 P03951 4/20 0.35
F2 P00734 3/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL15912516 0.96 ESR2 (0.39) LIPGLPLESR2P4HBCA1
SCHEMBL15919078 0.85 LIPG (0.41) LIPGLPLESR2CA1CA2
SCHEMBL15919077 0.81 LIPG (0.39) LIPGLPLESR2P4HBCA1
SCHEMBL15912509 0.77 CYP1A2 (0.40)
SCHEMBL24608995 0.71 LIPG (0.83) LIPGLPLESR2P4HBCA1
SCHEMBL2707320 0.71 LIPG (0.83) LIPGLPLESR2P4HBCA1
SCHEMBL5899476 0.70 LIPG (0.61) LIPGLPLP4HBCA1CA2
SCHEMBL16918909 0.69 LIPG (0.47) LIPGLPLESR2P4HBCA1
SCHEMBL16979106 0.68 LPL (0.45) LIPGLPLESR2P4HBCA1
SCHEMBL15912465 0.68 LIPG (0.53) LIPGLPLP4HBCA1CA2

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 111/4885ESR2 1092/4885

“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.