SCHEMBL1643598

SCHEMBL1643598

CC1(C)OB(c2ccc3cccc(B4OC(C)(C)C(C)(C)O4)c3c2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.53
LPL P06858 12/20 0.53
IRAK4 Q9NWZ3 1/20 0.43
EGFR P00533 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL429978 0.84 LIPG (0.53) LIPGLPLIRAK4EGFRIDO1
SCHEMBL2358141 0.84 LIPG (0.53) LIPGLPLIRAK4EGFRPRMT5
SCHEMBL23043783 0.84 CYP2A6 (0.49) LIPGLPLIRAK4
SCHEMBL30640509 0.84 CYP2A6 (0.49) LIPGLPLIRAK4
SCHEMBL29444278 0.83 LPL (0.59) LIPGLPLIRAK4EGFRPRMT5
SCHEMBL2453344 0.83 LPL (0.59) LIPGLPLIRAK4EGFRPRMT5
SCHEMBL30876507 0.83 LPL (0.42) LIPGLPLIRAK4IDO1TDO2
SCHEMBL28706226 0.83 LIPG (0.51) LIPGLPLIRAK4EGFRIDO1
SCHEMBL23043319 0.83 LPL (0.42) LIPGLPLIRAK4IDO1TDO2
SCHEMBL29341518 0.83 LIPG (0.51) LIPGLPLIRAK4EGFRPRMT5

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-20110098351-A1 Lactone compounds which can be used as antioxidant agents in pharmaceutical, cosmetic or food compositions and their method of preparation COMMISSISSARIAT A L'ENERGIE ATOMIQUE 2011-04-28 US disclosed
US-20110098351-A1 Lactone compounds which can be used as antioxidant agents in pharmaceutical, cosmetic or food compositions and their method of preparation COMMISSISSARIAT A L'ENERGIE ATOMIQUE 2011-04-28 US disclosed
US-20110098351-A1 Lactone compounds which can be used as antioxidant agents in pharmaceutical, cosmetic or food compositions and their method of preparation COMMISSISSARIAT A L'ENERGIE ATOMIQUE 2011-04-28 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-20110098351-A1 Lactone compounds which can be used as antioxidant agents in pharmaceutical, cosmetic or food compositions and their method of preparation NQO1, LPO, CAT LIPG 159/4885LPL 84/4885IRAK4 3879/4885

“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.