SCHEMBL13469834

SCHEMBL13469834

CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-c1ccc(C(C)CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 14/20 0.40
LPL P06858 13/20 0.40
ESR2 Q92731 1/20 0.38
HIF1A Q16665 1/20 0.34
ROCK1 Q13464 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 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
SCHEMBL13469851 0.91 LIPG (0.45) LIPGLPLESR2
SCHEMBL15096657 0.82 LPL (0.54) LIPGLPLESR2CA1CA2
SCHEMBL15096665 0.82 LPL (0.54) LIPGLPLESR2CA1CA2
SCHEMBL16200416 0.81 LIPG (0.58) LIPGLPLHIF1AROCK1
SCHEMBL13454815 0.77 LIPG (0.62) LIPGLPLHIF1A
SCHEMBL24608997 0.76 LIPG (0.59) LIPGLPLESR2HIF1AROCK1
SCHEMBL801385 0.75 LPL (0.47) LIPGLPLESR2CA1CA2
SCHEMBL20407288 0.75 LPL (0.47) LIPGLPLESR2CA1CA2
SCHEMBL21909819 0.75 LIPG (0.50) LIPGLPLROCK1
SCHEMBL21341781 0.74 LIPG (0.51) LIPGLPLESR2HIF1AROCK1

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-20120261615-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-18 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 (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-20120261615-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MCM5, MCM3, MCM7 LIPG 4445/4885LPL 4501/4885ESR2 4107/4885

“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.