SCHEMBL2393633

SCHEMBL2393633

CC1(C)OB(c2cc(F)c(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.36
LIPG Q9Y5X9 3/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ROCK1 Q13464 1/20 0.31
F2 P00734 1/20 0.30
F11 P03951 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL13218909 0.92 LPL (0.36) LPLLIPGCA1CA2CA9
SCHEMBL2486780 0.87 LPL (0.35) LPLLIPGCA1CA2CA9
SCHEMBL587211 0.87 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL24492663 0.86 LPL (0.32) LPLLIPG
SCHEMBL23509983 0.86 CA1 (0.34) LPLLIPGCA1CA2CA9
SCHEMBL587344 0.80 LPL (0.39) LPLLIPGROCK1F2F11
SCHEMBL12760441 0.80 LPL (0.37) LPLLIPGCA1CA2CA9
SCHEMBL9913189 0.80 LPL (0.35) LPLLIPGCA1CA2CA9
SCHEMBL12357207 0.78 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL28906593 0.77 LPL (0.39) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879183-B2 Liquid crystal compound having CF2O bonding group and tolan skeleton, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-30 US disclosed
US-9879183-B2 Liquid crystal compound having CF2O bonding group and tolan skeleton, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-30 US disclosed
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-04-20 US disclosed
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-04-20 US disclosed
EP-3156388-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLANE BACKBONE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-04-19 EP disclosed
EP-2368966-B1 Liquid crystalline compounds and liquid crystalline media MERCK PATENT GMBH (DE) 2013-05-15 EP disclosed
EP-2368966-B1 Liquid crystalline compounds and liquid crystalline media MERCK PATENT GMBH (DE) 2013-05-15 EP disclosed
US-8211513-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
US-8211513-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
US-8211513-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-29 US disclosed
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-29 US disclosed
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-29 US disclosed
EP-2368966-A1 Liquid crystalline compounds and liquid crystalline media Merck Patent GmbH (DE) 2011-09-28 EP disclosed
EP-2368966-A1 Liquid crystalline compounds and liquid crystalline media Merck Patent GmbH (DE) 2011-09-28 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-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, TLN1, TCOF1 LPL 2317/4885LIPG 2440/4885CA1 1163/4885
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA CFB, CFD, LCT LPL 311/4885LIPG 1327/4885CA1 378/4885

“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.