SCHEMBL91805

SCHEMBL91805

Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C1 Q04828 1/20 0.44
PDE3B Q13370 4/20 0.41
PDE3A Q14432 4/20 0.41
SLC6A3 Q01959 2/20 0.40
ESR2 Q92731 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 2/20 0.38
APP P05067 2/20 0.38
HSD11B1 P28845 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
NISCH Q9Y2I1 1/20 0.35
SLC6A2 P23975 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
SCHEMBL13615663 1.00 FASN (0.45) FASNAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL14365643 0.96 FASN (0.43) FASNAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL24661359 0.93 AKR1C3 (0.43) FASNAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL21373954 0.91 FASN (0.43) FASNAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL2741535 0.88 FASN (0.44) FASNAKR1C3AKR1C2PDE3BPDE3A
SCHEMBL13313465 0.88 FASN (0.44) FASNAKR1C3AKR1C2PDE3BPDE3A
SCHEMBL10014180 0.88 ESR2 (0.48) FASNSLC6A3ESR2HSD11B1SLC6A2
SCHEMBL803146 0.87 ESR2 (0.41) FASNAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL12377041 0.86 FASN (0.49) FASNESR2CYP3A4CYP2C9APP
SCHEMBL91927 0.85 FASN (0.42) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-20120012785-A1 Liquid Crystal System And Liquid Crystal Display SCHOTT CECILE (TW) 2012-01-19 US disclosed
US-7998541-B2 Benzochromene derivatives for use in liquid crystal media and as therapeutic active substances MERCK PATENT GMBH (DE) 2011-08-16 US disclosed
US-7922934-B2 s-Indacene and indeno[5,6-d][1,3]dioxol-derivatives and use thereof as components of liquid-crystal mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-04-12 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-7824745-B2 Benzochromene derivatives MERCK PATENT GMBH (DE) 2010-11-02 US 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 1779/4885AKR1C3 2800/4885AKR1C2 2952/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK FASN 3612/4885AKR1C3 2896/4885AKR1C2 3229/4885

“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.