SCHEMBL20114004

SCHEMBL20114004

CC1(C)COB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.52
LIPG Q9Y5X9 12/20 0.52
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
F11 P03951 2/20 0.42
ESR2 Q92731 1/20 0.40
P4HB P07237 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL29591332 0.92 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL29591345 0.86 LIPG (0.48) LPLLIPGCA1CA2CA9
SCHEMBL21145768 0.83 LPL (0.34) LPLLIPGF11ESR2
SCHEMBL28543193 0.83 LPL (0.34) LPLLIPG
SCHEMBL22606505 0.83 LPL (0.53) LPLLIPG
SCHEMBL28495477 0.83 LPL (0.34) LPLLIPG
SCHEMBL24041164 0.83 LPL (0.37) LPLLIPGCA1CA2CA9
SCHEMBL18467899 0.82 LPL (0.44) LPLLIPGP4HB
SCHEMBL19905011 0.82 LPL (0.44) LPLLIPGP4HB
SCHEMBL228212 0.81 LPL (0.71) LPLLIPGCA1CA2CA9

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-20180123048-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-03 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-20180123048-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 LPL 2598/4885LIPG 1295/4885CA1 870/4885

“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.