SCHEMBL12242587

SCHEMBL12242587

C=CC(=O)OCCCCCCOc1ccc(C(F)(F)Oc2ccc(OC(F)(F)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.38
THRA P10827 2/20 0.38
HTT P42858 3/20 0.37
PPARA Q07869 4/20 0.37
PPARD Q03181 4/20 0.37
PPARG P37231 2/20 0.37
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL15782789 0.95 HTT (0.43) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL14749472 0.89 THRB (0.38) THRBTSHRCYP3A4HPGDTHRA
SCHEMBL18455552 0.88 THRB (0.34) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL16282706 0.87 THRB (0.38) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL19223889 0.87 THRB (0.51) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL14749473 0.86 PTPN2 (0.34) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL18200267 0.86 THRB (0.42) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL12213354 0.84 RXRA (0.42) THRBPPARAPPARDPPARGMAPT
SCHEMBL14588254 0.83 THRB (0.40) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL12242609 0.83 THRB (0.40) THRBALDH1A1HPGDPPARDMAPT

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450509-B2 Liquid crystal medium and liquid display MERCK PATENT GMBH (DE) 2019-10-22 US disclosed
EP-3328963-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2019-04-17 EP disclosed
US-20180223189-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180223189-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
EP-3090033-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-07-04 EP disclosed
US-9938464-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2018-04-10 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-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-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-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-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-20130057947-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 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 (3 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 4818/4885ALDH1A1 3843/4885
US-10450509-B2 Liquid crystal medium and liquid display NEFM, CRY1, BMP2 THRB 3110/4885TSHR 4467/4885ALDH1A1 3890/4885
US-20110261311-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, MAP1LC3C, VCL THRB 4838/4885TSHR 4869/4885ALDH1A1 4144/4885

“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.