SCHEMBL802771

SCHEMBL802771

C=CC(=O)OCCCCC(=O)OC1C[C@H](OC(=O)CCCCOC(=O)C=C)[C@H](OC(=O)CCCCOC(=O)C=C)CO1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.38
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
IARS1 P41252 1/20 0.30

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
SCHEMBL19697196 1.00 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12092901 1.00 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14555165 1.00 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23715502 0.94 TSHR (0.39) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18083265 0.94 TSHR (0.39) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL19155313 0.94 TSHR (0.39) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22426049 0.89 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15298523 0.87 TSHR (0.39) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16152497 0.86 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18488744 0.86 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11441073-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-09-13 US disclosed
US-20210087469-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2021-03-25 US disclosed
US-10934487-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2021-03-02 US disclosed
US-10550327-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2020-02-04 US disclosed
US-10513657-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-12-24 US disclosed
EP-3174955-B1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
EP-2607451-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2019-01-23 EP disclosed
US-20180223187-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-20180187081-A1 PROCESS OF PREPARING A LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2018-07-05 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
WO-2011110287-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2011-09-15 WO disclosed
WO-2011107218-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-09-09 WO disclosed
WO-2011098224-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-08-18 WO disclosed
WO-2011050893-A1 POLYMERIZABLE COMPOUNDS AND USE THEREOF IN LIQUID CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2011-05-05 WO disclosed
WO-2011035842-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2011-03-31 WO disclosed
WO-2011032630-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2011-03-24 WO disclosed
WO-2011032630-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2011-03-24 WO disclosed
WO-2010133278-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2010-11-25 WO disclosed
EP-2243812-A2 Liquid crystal display Merck Patent GmbH (DE) 2010-10-27 EP 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 (1 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-20110261311-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, MAP1LC3C, VCL TSHR 4869/4885ALDH1A1 4144/4885CYP3A4 3196/4885

“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.