SCHEMBL9979991

SCHEMBL9979991

CC1CCC(c2ccc(-c3cc(F)c(CF)c(F)c3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
FASN P49327 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
APP P05067 2/20 0.32
CHKA P35790 1/20 0.32
FFAR1 O14842 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
RPS6KA3 P51812 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
HSD11B1 P28845 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
SCHEMBL9979993 0.84 FASN (0.42) ESR2FASNCYP3A4CYP2C9APP
SCHEMBL9763893 0.84 ESR2 (0.50) ESR2FASNHRH3NPC1RAB9A
SCHEMBL4434770 0.84 ESR2 (0.50) ESR2FASNHRH3NPC1RAB9A
SCHEMBL4432796 0.83 ESR2 (0.49) ESR2FASNHRH3NPC1RAB9A
SCHEMBL20976648 0.82 ESR2 (0.40) ESR2FASNHRH3NPC1RAB9A
SCHEMBL14206986 0.81 ESR2 (0.47) ESR2FASNHRH3NPC1RAB9A
SCHEMBL4427660 0.81 ESR2 (0.50) ESR2FASNNPC1RAB9ACYP3A4
SCHEMBL4438458 0.80 ESR2 (0.46) ESR2FASNHRH3NPC1RAB9A
SCHEMBL15172823 0.80 ESR2 (0.46) ESR2FASNHRH3NPC1RAB9A
SCHEMBL12656041 0.80 HDAC2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795398-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds MERCK PATENT GMBH (DE) 2023-10-24 US disclosed
US-11788009-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-10-17 US disclosed
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 US disclosed
US-11760931-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-09-19 US disclosed
US-11702597-B2 Azo dye MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-11667841-B2 Dibenzofuran and dibenzothiophene derivatives MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-20180195002-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-07-12 US disclosed
US-20180142152-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2018-05-24 US disclosed
US-20170002269-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
US-20120256124-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-11 US disclosed
US-8168083-B2 Electro-optical light control element, electro-optical display and control medium MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-01 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
WO-2010089092-A1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2010-08-12 WO disclosed
US-20100188630-A1 ELECTRO-OPTICAL LIGHT CONTROL ELEMENT, ELECTRO-OPTICAL DISPLAY AND CONTROL MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-29 US disclosed
US-20100155662-A1 S-INDACENE AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES MERCK PATENT GESELLSCHAFT (DE) 2010-06-24 US disclosed
US-7563491-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2009-07-21 US disclosed
US-7553522-B2 LC-mixtures with low frequency dependence for TFT-displays MERCK PATENT GMBH (DE) 2009-06-30 US disclosed
US-7445819-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2008-11-04 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-11667841-B2 Dibenzofuran and dibenzothiophene derivatives DDT, MYT1, DBF4 ESR2 3924/4885FASN 3326/4885HRH3 3986/4885
US-20100155662-A1 S-INDACENE AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES IPO5, SFXN3, SFXN1 ESR2 2046/4885FASN 3556/4885HRH3 1744/4885

“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.