SCHEMBL14749530

SCHEMBL14749530

CCCc1ccc(OC(F)(F)c2ccc(CCC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
PSMB5 P28074 1/20 0.37
PLK1 P53350 1/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PPARA Q07869 3/20 0.37
PPARD Q03181 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7735368 1.00 THRB (0.41) THRBTSHRMAOBALDH1A1TAAR1
SCHEMBL7731398 0.95 TAAR1 (0.46) MAOBTAAR1PSMB5PPARAPPARD
SCHEMBL7732792 0.95 TSHR (0.45) THRBTSHRALDH1A1SLC6A4SLC6A3
SCHEMBL7730387 0.95 TAAR1 (0.46) MAOBTAAR1PSMB5PPARAPPARD
SCHEMBL7733396 0.95 TSHR (0.45) THRBTSHRALDH1A1SLC6A4SLC6A3
SCHEMBL7735178 0.95 TSHR (0.39) THRBTSHRMAOBALDH1A1TAAR1
SCHEMBL7735489 0.93 TSHR (0.44) THRBTSHRALDH1A1SLC6A4SLC6A3
SCHEMBL7731366 0.93 FAAH (0.39) THRBALDH1A1PLK1PPARAMEN1
SCHEMBL7733321 0.93 BCHE (0.40) THRBTSHRMAOBALDH1A1TAAR1
SCHEMBL7731801 0.93 TAAR1 (0.44) MAOBTAAR1PSMB5PPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822305-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-21 US disclosed
US-9809749-B2 Mesogenic compound, liquid-crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-9612445-B2 Lens element MERCK PATENT GMBH (DE) 2017-04-04 US disclosed
US-9475990-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2016-10-25 US disclosed
US-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-04-28 US disclosed
US-9315729-B2 Polymerizable compounds and their use in liquid crystal media and liquid crystal displays MERCK PATENT GMBH (DE) 2016-04-19 US disclosed
US-20150301344-A1 LENS ELEMENT MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
US-20150247089-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-09-03 US disclosed
US-9120969-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2015-09-01 US disclosed
US-20140225035-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
US-20140158934-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-06-12 US disclosed
US-20140125938-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID CRYSTAL MEDIA AND LIQUID CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-05-08 US disclosed
US-20140077130-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-03-20 US disclosed
US-8659737-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2014-02-25 US disclosed
WO-2013156113-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2013-10-24 WO disclosed
US-20130057947-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 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-20140125938-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID CRYSTAL MEDIA AND LIQUID CRYSTAL DISPLAYS LPXN, BPHL, MAP1LC3C THRB 4802/4885TSHR 4818/4885MAOB 1838/4885
US-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY BMP2, IK, EML4 THRB 3904/4885TSHR 4680/4885MAOB 383/4885

“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.