SCHEMBL12242589

SCHEMBL12242589

C=CC(=O)OCCCC#Cc1ccc(C(F)(F)Oc2ccc(OC(F)(F)c3ccc(C#CCCCOC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 6/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.37
PTPN2 P17706 5/20 0.35
PTPN1 P18031 5/20 0.35
PTPN6 P29350 4/20 0.35
PTPN11 Q06124 4/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 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
SCHEMBL14749473 0.89 PTPN2 (0.34) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL2733945 0.89 PPARD (0.36) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL12213987 0.88 THRB (0.40) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL12213986 0.78 THRB (0.47) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14749472 0.77 THRB (0.38) THRBTSHRHPGDCYP3A4PPARG
SCHEMBL12242588 0.77 PPARD (0.38) THRBPPARGPPARDPPARAHDAC6
SCHEMBL19223889 0.76 THRB (0.51) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14907522 0.74 POLB (0.38) TSHRALDH1A1CYP3A4PTPN2PTPN1
SCHEMBL12213937 0.74 THRB (0.40) THRBPTPN2PTPN1PTPN6PTPN11
SCHEMBL14749491 0.74 THRB (0.40) THRBPTPN2PTPN1PTPN6PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3090033-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-07-04 EP disclosed
EP-2753675-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-05-02 EP disclosed
US-9938464-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
EP-3124573-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-03-28 EP 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
EP-2986688-B1 MESOGENIC COMPOUND, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-04-19 EP disclosed
EP-3124573-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2017-02-01 EP 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 (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-20140362334-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, MAP1LC3C, VCL THRB 4838/4885TSHR 4869/4885HPGD 3092/4885
US-20140125938-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID CRYSTAL MEDIA AND LIQUID CRYSTAL DISPLAYS LPXN, BPHL, MAP1LC3C THRB 4802/4885TSHR 4818/4885HPGD 3511/4885
US-20110261311-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, MAP1LC3C, VCL THRB 4838/4885TSHR 4869/4885HPGD 3092/4885

“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.