SCHEMBL12242588

SCHEMBL12242588

C=CC(=O)OCCC#CCCCOc1ccc(C(F)(F)Oc2ccc(OC(F)(F)c3ccc(OCCCC#CCCOC(=O)C=C)cc3)c(C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.38
THRB P10828 1/20 0.38
PPARA Q07869 7/20 0.36
PPARG P37231 4/20 0.36
FFAR4 Q5NUL3 3/20 0.34
FFAR1 O14842 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL14749472 0.90 THRB (0.38) PPARDTHRBPPARAPPARGHDAC6
SCHEMBL2733945 0.90 PPARD (0.36) PPARDTHRBPPARAPPARGFFAR4
SCHEMBL12213681 0.80 THRB (0.42) PPARDTHRBPPARAPPARG
SCHEMBL14749473 0.80 PTPN2 (0.34) PPARDTHRBPPARAPPARG
SCHEMBL18200267 0.80 THRB (0.42) PPARDTHRBPPARAPPARGFFAR4
SCHEMBL12242591 0.79 PPARD (0.39) PPARDTHRBPPARAPPARGMRGPRX4
SCHEMBL12242587 0.79 THRB (0.41) PPARDTHRBPPARAPPARG
SCHEMBL12242605 0.79 PPARD (0.43) PPARDTHRBPPARAPPARG
SCHEMBL12242589 0.77 THRB (0.39) PPARDTHRBPPARAPPARGHDAC6
SCHEMBL14907522 0.76 POLB (0.38) PPARDPPARAPPARGFFAR4FFAR1

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-20180223189-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-9938464-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
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-20160326436-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-11-10 US disclosed
US-9475990-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2016-10-25 US disclosed
US-9347000-B2 Polymerisable compounds and the use thereof in liquid-crystal media and liquid-crystal displays MERCK PATENT GMBH (DE) 2016-05-24 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-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-20140362334-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-12-11 US disclosed
US-8895117-B2 Polymerisable compounds and the use thereof in liquid-crystal media and liquid-crystal displays MERCK PATENT GMBH (DE) 2014-11-25 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
US-20110261311-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-27 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 (4 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-20140362334-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, MAP1LC3C, VCL PPARD 2373/4885THRB 4838/4885PPARA 2107/4885
US-20140125938-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID CRYSTAL MEDIA AND LIQUID CRYSTAL DISPLAYS LPXN, BPHL, MAP1LC3C PPARD 2017/4885THRB 4802/4885PPARA 1771/4885
US-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY BMP2, IK, EML4 PPARD 4310/4885THRB 3904/4885PPARA 4624/4885
US-20110261311-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, MAP1LC3C, VCL PPARD 2373/4885THRB 4838/4885PPARA 2107/4885

“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.