SCHEMBL29418

SCHEMBL29418

CC1CCC(c2ccc(CF)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.57
SPHK1 Q9NYA1 12/20 0.40
SPHK2 Q9NRA0 7/20 0.38
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
LSS P48449 1/20 0.35

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
SCHEMBL11196166 0.82 ESR2 (0.77) ESR2SPHK1ESR1CYP3A4CYP2C9
SCHEMBL13615716 0.80 ESR2 (0.62) ESR2SPHK1ESR1CYP3A4CYP2C9
SCHEMBL12918542 0.80 ESR2 (0.57) ESR2SPHK1ESR1CYP3A4CYP2C9
SCHEMBL14473176 0.80 ESR2 (0.57) ESR2SPHK1SPHK2ESR1CYP3A4
SCHEMBL15449220 0.80 ESR2 (0.57) ESR2SPHK1SPHK2ESR1CYP3A4
SCHEMBL15043502 0.79 ESR2 (0.52) ESR2SPHK1SPHK2ESR1CYP3A4
SCHEMBL14295094 0.79 ESR2 (0.52) ESR2SPHK1SPHK2ESR1CYP3A4
SCHEMBL15043501 0.79 ESR2 (0.52) ESR2SPHK1ESR1CYP3A4CYP2C9
SCHEMBL7912619 0.78 SPHK1 (0.47) ESR2SPHK1SPHK2HRH3
SCHEMBL11280976 0.77 ESR2 (0.53) ESR2SPHK1SPHK2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-8945420-B2 Liquid crystal display and liquid crystalline medium MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-8202584-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2012-06-19 US disclosed
US-8168081-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-01 US disclosed
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
EP-2423294-A1 Switch element comprising a liquid-crystalline medium Merck Patent GmbH (DE) 2012-02-29 EP disclosed
US-8043671-B2 Liquid-crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-25 US disclosed
US-20110101270-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 US disclosed
US-7914859-B2 Light modulation media, use in particular for electrooptic displays which are operated at a temperature at which the mesogenic modulation media are in an optically isotropic phase, preferably in a blue phase; reduced operating voltage, reduced temperature dependency of operating voltage, reliability MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
US-20100252777-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-07 US disclosed
US-20100108945-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-06 US disclosed
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-7582337-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-09-01 US disclosed
US-20080308768-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-12-18 US disclosed
US-7425355-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-09-16 US disclosed
US-20080197319-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
EP-1690916-B1 Mesogenic compounds, liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2008-03-12 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 (3 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-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM CUTA, NEFM, FES ESR2 1269/4885SPHK1 2487/4885SPHK2 1920/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK ESR2 1851/4885SPHK1 3150/4885SPHK2 3099/4885
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications VIM, CDH1, LEF1 ESR2 1692/4885SPHK1 2240/4885SPHK2 2396/4885

“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.