SCHEMBL552698

SCHEMBL552698

CC1(C)OB(c2cc(C=O)c3c(c2)OCC3)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ LPL P06858 1/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30
▸ P2RX7 Q99572 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
SCHEMBL22290570 0.78 LPL (0.38) MAPK1LPLLIPGP2RX7
SCHEMBL20861758 0.75 ERN1 (0.35) ERN1MAPK1P2RX7
SCHEMBL20861592 0.72 ERN1 (0.40) ERN1MAPK1P2RX7
SCHEMBL17397880 0.72 ERN1 (0.40) ERN1MAPK1P2RX7
SCHEMBL17397866 0.71 LMNA (0.37) ERN1MAPK1P2RX7
SCHEMBL1803570 0.69 LPL (0.41) MAPK1LPLLIPG
SCHEMBL31035289 0.68 ERN1 (0.42) ERN1LPLLIPG
SCHEMBL31088716 0.68 LPL (0.39) LPLLIPG
SCHEMBL20527113 0.68 MAOB (0.51) —
SCHEMBL2279721 0.67 CA1 (0.43) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 — — US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 — — US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 — — US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 — — US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 — — EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 — — WO 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 (2 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA ERN1 1139/4885MAPK1 988/4885LPL 4845/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA ERN1 1139/4885MAPK1 988/4885LPL 4845/4885

“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.

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