SCHEMBL2910682

SCHEMBL2910682

CCCc1ccc(-c2ccc(B(O)O)c(F)c2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 5/20 0.49
▸ LIPG Q9Y5X9 5/20 0.49
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MPL P40238 5/20 0.38
▸ RARB P10826 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ CHKA P35790 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.33
▸ PLK1 P53350 1/20 0.33

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
SCHEMBL16572151 0.91 CA1 (0.51) LPLLIPGCA1CA2MPL
SCHEMBL7764726 0.89 LPL (0.53) LPLLIPGCA1CA2MPL
SCHEMBL29950872 0.89 LPL (0.53) LPLLIPGCA1CA2MPL
SCHEMBL7789321 0.88 LIPG (0.54) LPLLIPGCA1CA2RARB
SCHEMBL7786816 0.88 LIPG (0.54) LPLLIPGCA1CA2RARB
SCHEMBL18160348 0.88 LPL (0.46) LPLLIPGCA1CA2MPL
SCHEMBL3031530 0.87 LPL (0.46) LPLLIPGMPLRARBCHKA
SCHEMBL9494063 0.86 LPL (0.42) LPLLIPGCA2MPLRARB
SCHEMBL29281551 0.86 LIPG (0.47) LPLLIPGCA1CA2MPL
SCHEMBL9563689 0.84 MCL1 (0.41) LPLLIPGCA2MPLRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023799-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-07-17 — — US disclosed
US-20150376504-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-31 — — US disclosed
US-20150376504-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-31 — — US disclosed
EP-1388538-B1 Polymerisation Initiator MERCK PATENT GMBH (DE) 2010-09-01 — — EP disclosed
EP-1388538-A1 Polymerisation Initiator MERCK PATENT GmbH (DE) 2004-02-11 — — EP 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-10023799-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device PIEZO1, ROCK1, RCC1 LPL 1032/4885LIPG 1678/4885CA1 377/4885
US-20150376504-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, ROCK1, RCC1 LPL 1032/4885LIPG 1678/4885CA1 377/4885

“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.

Send feedback