SCHEMBL91927

SCHEMBL91927

Cc1c(F)cc(-c2ccc(C3CCC(C)CC3)cc2F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.42
ESR2 Q92731 1/20 0.41
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 2/20 0.37
APP P05067 2/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMURF2 Q9HAU4 1/20 0.32
SMURF1 Q9HCE7 1/20 0.32
PDK2 Q15119 1/20 0.32
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31

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
SCHEMBL4431638 1.00 FASN (0.42) FASNESR2CYP3A4CYP2C9APP
SCHEMBL14365644 0.96 FASN (0.40) FASNESR2CYP3A4CYP2C9APP
SCHEMBL18057053 0.96 FASN (0.40) FASNESR2CYP3A4CYP2C9APP
SCHEMBL13615177 0.94 FASN (0.40) FASNESR2CYP3A4CYP2C9APP
SCHEMBL13447437 0.91 ESR2 (0.42) FASNESR2CYP3A4CYP2C9APP
SCHEMBL13480358 0.90 FASN (0.44) FASNESR2CYP3A4CYP2C9APP
SCHEMBL91870 0.89 FASN (0.43) FASNESR2CYP3A4CYP2C9APP
SCHEMBL18385880 0.89 CYP3A4 (0.38) FASNCYP3A4CYP2C9APPCYP2D6
SCHEMBL14206983 0.87 FASN (0.41) FASNESR2CYP3A4CYP2C9APP
SCHEMBL13614726 0.87 FASN (0.41) FASNESR2CYP3A4CYP2C9APP

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017102051-A1 METHOD FOR MANUFACTURING A LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL MIXTURE MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed
US-9567522-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-20130193376-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2013-08-01 US disclosed
US-8409469-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8333906-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2012-12-18 US disclosed
EP-2147079-B1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2012-10-10 EP disclosed
EP-2502972-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-09-26 EP disclosed
WO-2012052104-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
WO-2012022388-A1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2012-02-23 WO disclosed
US-7445819-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2008-11-04 US disclosed
US-7440160-B2 Electro-optical light modulating element, electro-optical display and modulating medium MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
US-20080177095-A1 FUROCHROMAN DERIVATIVES MERCK PATENT GMBH (DE) 2008-07-24 US disclosed
US-20080167482-A1 mesogenic group is linked to the C-atom No. 5 of the 1,3-dioxane-5-yl group; media showing a blue phase and their use in electro-optical light modulation elements MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
US-7326447-B2 Benzochromene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-02-05 US disclosed
US-7314653-B2 Liquid-crystal medium and electro-optical display containing same MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-01-01 US disclosed
US-7294368-B2 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-11-13 US disclosed
US-7258903-B2 Fast switching liquid crystal compositions for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-08-21 US disclosed
US-20070034829-A1 liquid crystalline medium comprises at least one strongly polar two-ring compound containing at least one fluorine group and two benezne rings; liquid-crystalline medium has a dielectric relaxation frequency of more than 200 kHz at a temperature of 0 degrees C.; use in active matrix displays MERCK PATENT GMBH (DE) 2007-02-15 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-20080177095-A1 FUROCHROMAN DERIVATIVES CFD, LMAN1, UROD FASN 1779/4885ESR2 1410/4885CYP3A4 1297/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK FASN 3612/4885ESR2 1851/4885CYP3A4 1217/4885

“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.