SCHEMBL12877656

SCHEMBL12877656

Bc1c(C)ccc(B(O)O)c1C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL911111 0.77 CA2 (0.36) CA2LPLLIPG
SCHEMBL3938364 0.76 CA2 (0.43) CA2LPLLIPG
SCHEMBL19865006 0.73 CYP1A2 (0.36)
SCHEMBL3199130 0.73 ALDH1A1 (0.42) CA2LPLLIPG
SCHEMBL5917526 0.71 CA2 (0.37) CA2LPLLIPG
SCHEMBL5250130 0.71 POLB (0.52) CA2LPLLIPG
SCHEMBL27401712 0.70 TRPA1 (0.44)
SCHEMBL29956577 0.70 ENPP2 (0.40) CA2LPLLIPG
SCHEMBL18499550 0.69 CYP1A2 (0.39) CA2
SCHEMBL22318260 0.69 POLB (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951274-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2018-04-24 US disclosed
US-9580651-B2 Organic compound, liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-02-28 US disclosed
US-20150175884-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-8956705-B2 Ferroelectric liquid crystal (FLC) polymers CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-02-17 US disclosed
US-20150038722-A1 ORGANIC COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-02-05 US disclosed
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-7919008-B2 Liquid crystal composition comprising novel silicon containing compounds and liquid crystal display device using the same LG CHEM, LTD. (KR) 2011-04-05 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20100220279-A1 FERROELECTRIC LIQUID CRYSTAL (FLC) POLYMERS NATIONAL SCIENCE FOUNDATION 2010-09-02 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 (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-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 CA2 3880/4885LPL 2987/4885LIPG 2364/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 CA2 3880/4885LPL 2987/4885LIPG 2364/4885

“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.