SCHEMBL3113805

SCHEMBL3113805

CCCCCCC1(CCCCCC)c2cc(B(O)O)ccc2-c2ccc(B(OCCOCC)OCCOCC)cc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.35
LIPG Q9Y5X9 6/20 0.35
TRPV1 Q8NER1 1/20 0.35
MGLL Q99685 1/20 0.35
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PDK2 Q15119 1/20 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
SCHEMBL17112417 0.88 LPL (0.35) LPLLIPGTRPV1MGLLCA1
SCHEMBL1590378 0.88 LPL (0.35) LPLLIPGTRPV1MGLLCA1
SCHEMBL411810 0.88 LPL (0.35) LPLLIPGTRPV1MGLLCA1
SCHEMBL13480891 0.86 PDK2 (0.32) LPLLIPGTRPV1MGLLPDK2
SCHEMBL371497 0.84 LIPG (0.46) LPLLIPGTRPV1MGLLCA1
SCHEMBL29383962 0.84 LIPG (0.46) LPLLIPGTRPV1MGLLCA1
SCHEMBL29460237 0.84 LIPG (0.46) LPLLIPGTRPV1MGLLCA1
SCHEMBL28537539 0.84 LIPG (0.46) LPLLIPGTRPV1MGLLCA1
SCHEMBL374243 0.84 LIPG (0.46) LPLLIPGTRPV1MGLLCA1
SCHEMBL29453590 0.84 LIPG (0.46) LPLLIPGTRPV1MGLLCA1

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-20100270537-A1 OPTOELECTRONIC DEVICES AND ORGANIC COMPOUNDS USED THEREIN GENERAL ELECTRIC COMPANY (US) 2010-10-28 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-20100270537-A1 OPTOELECTRONIC DEVICES AND ORGANIC COMPOUNDS USED THEREIN AOC3, C3AR1, AOC2 LPL 4123/4885LIPG 4430/4885TRPV1 304/4885

“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.