SCHEMBL9892719

SCHEMBL9892719

C=C1OB(c2cc(CCCCCC)cs2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 5/20 0.40
▸ LIPG Q9Y5X9 5/20 0.40
▸ PTGS2 P35354 2/20 0.32
▸ OPRM1 P35372 3/20 0.31

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
SCHEMBL121471 0.81 LPL (0.56) LPLLIPGPTGS2OPRM1
SCHEMBL31516134 0.81 LPL (0.56) LPLLIPGPTGS2OPRM1
SCHEMBL15072065 0.81 LPL (0.56) LPLLIPGPTGS2OPRM1
SCHEMBL9891143 0.80 LPL (0.55) LPLLIPGPTGS2OPRM1
SCHEMBL12913268 0.76 LPL (0.49) LPLLIPGOPRM1
SCHEMBL868509 0.75 LPL (0.40) LPLLIPGPTGS2OPRM1
SCHEMBL14941616 0.75 LPL (0.40) LPLLIPGPTGS2OPRM1
SCHEMBL12020082 0.75 LIPG (0.38) LPLLIPGPTGS2
SCHEMBL27949745 0.74 LPL (0.45) LPLLIPGPTGS2OPRM1
SCHEMBL10097916 0.73 LPL (0.36) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142872-A1 PROCESS FOR POLYMERISING (HETERO)AROMATIC COMPOUNDS BASF SE (DE) 2012-06-07 — — US disclosed
US-20110284826-A1 Dyketopyrrolopyrrole polymers for use in organic semiconductor devices BASF SE (DE) 2011-11-24 — — US disclosed
US-20110272030-A1 MATERIAL FOR PHOTOVOLTAIC DEVICE, AND PHOTOVOLTAIC DEVICE TORAY INDUSTRIES, INC. (JP) 2011-11-10 — — 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-20110284826-A1 Dyketopyrrolopyrrole polymers for use in organic semiconductor devices DDT, PPOX, FTO LPL 4234/4885LIPG 4670/4885PTGS2 1391/4885

“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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