SCHEMBL9979977

SCHEMBL9979977

Cc1ccc(OF)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
ACHE P22303 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NISCH Q9Y2I1 1/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.33
AMY1A P0DUB6 1/20 0.32
TUBB1 Q9H4B7 2/20 0.32
CYP1A1 P04798 1/20 0.32

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
SCHEMBL171839 0.81 CYP1A2 (0.47) MRGPRX4ACHESLC6A3SLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL27831764 0.79 CYP1A2 (0.46) MRGPRX4ACHESLC6A3SLC6A2SLC6A4
SCHEMBL13130874 0.79 MRGPRX4 (0.40) MRGPRX4ACHEHDAC1HDAC6NISCH
SCHEMBL257852 0.77 SOS1 (0.50) MRGPRX4ACHEHDAC1HDAC6SLC6A4
SCHEMBL450533 0.77 MRGPRX4 (0.39) MRGPRX4ACHEHDAC1HDAC6NISCH
SCHEMBL9979922 0.77 SOS1 (0.44) SLC6A4ALDH1A1L3MBTL1CYP1A1CYP1A2
SCHEMBL14220258 0.76 NQO1 (0.52) MRGPRX4KDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL900910 0.76 PDE2A (0.47) MRGPRX4KDM4EGAAMAPT
SCHEMBL21271958 0.76 MRGPRX4 (0.38) MRGPRX4ACHEHDAC1HDAC6NISCH
SCHEMBL11963662 0.76 ALDH1A1 (0.44) MRGPRX4HDAC1HDAC6KDM4EALDH1A1

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-9938464-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
US-9612445-B2 Lens element MERCK PATENT GMBH (DE) 2017-04-04 US disclosed
US-20170002290-A1 ELECTRO-RHEOLOGICAL FLUID AND HAPTIC DEVICE MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
US-20160326436-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-11-10 US disclosed
US-20150301344-A1 LENS ELEMENT MERCK PATENT GMBH (DE) 2015-10-22 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
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-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-7691455-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2010-04-06 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-7482044-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-01-27 US disclosed
US-7445819-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2008-11-04 US disclosed
US-20080124492-A1 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH 2008-05-29 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
US-20070235688-A1 Liquid crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT 2007-10-11 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-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 MRGPRX4 3437/4885ACHE 2650/4885HDAC1 4790/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK MRGPRX4 844/4885ACHE 955/4885HDAC1 4550/4885

“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.