SCHEMBL13554333

SCHEMBL13554333

Cc1ccc(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.56
SCN2A Q99250 2/20 0.56
SCN3A Q9NY46 2/20 0.56
GAA P10253 4/20 0.56
HTT P42858 1/20 0.56
TSHR P16473 2/20 0.53
ALDH1A1 P00352 3/20 0.48
ESR1 P03372 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 5/20 0.47
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1535633 0.94 GAA (0.61) SCN1ASCN2ASCN3AGAAHTT
SCHEMBL20711670 0.88 GAA (0.56) SCN1ASCN2ASCN3AGAAHTT
SCHEMBL13126360 0.88 TSHR (0.57) SCN1ASCN2ASCN3AGAAHTT
SCHEMBL19976793 0.88 GAA (0.56) SCN1ASCN2ASCN3AGAAHTT
SCHEMBL19884590 0.87 GAA (0.54) SCN1ASCN2ASCN3AGAAHTT
SCHEMBL243559 0.86 TSHR (0.70) SCN1ASCN2ASCN3AGAAHTT
SCHEMBL19720351 0.85 TSHR (0.58) SCN1ASCN2ASCN3AGAAHTT
SCHEMBL13554252 0.85 TSHR (0.58) SCN1ASCN2ASCN3AGAAHTT
SCHEMBL13554254 0.85 GAA (0.56) SCN1ASCN2ASCN3AGAAHTT
SCHEMBL13554256 0.85 GAA (0.53) SCN1ASCN2ASCN3AGAAHTT

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
US-11312908-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2022-04-26 US disclosed
US-11015123-B2 Liquid-crystal material MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3327103-B1 LIQUID CRYSTAL MEDIUM, METHOD FOR THE STABILISATION THEREOF AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2020-10-14 EP disclosed
US-20200255741-A1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2020-08-13 US disclosed
EP-3458549-B1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2020-07-22 EP disclosed
US-20200056093-A1 LIQUID CRYSTAL DISPLAY DEVICE AND ELECTRONIC DEVICE SHARP KABUSHIKI KAISHA (JP) 2020-02-20 US disclosed
US-10465117-B2 Liquid-crystalline medium, method for the stabilization thereof, and liquid-crystal display MERCK PATENT GMBH (DE) 2019-11-05 US disclosed
US-20180163134-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-06-14 US disclosed
EP-3327103-A1 LIQUID CRYSTAL MEDIUM, METHOD FOR THE STABILISATION THEREOF AND LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2018-05-30 EP disclosed
EP-3327102-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2018-05-30 EP disclosed
US-9388339-B2 Liquid-crystalline medium, method for the stabilization thereof, and liquid-crystal display MERCK PATENT GMBH (DE) 2016-07-12 US disclosed
US-20150184077-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-07-02 US disclosed
US-20150159088-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-11 US disclosed
US-8999460-B2 Compounds and liquid-crystalline medium MERCK PATENT GMBH (DE) 2015-04-07 US disclosed
US-8962102-B2 2015-02-24 US disclosed
EP-2514800-B1 Compounds and liquid crystalline medium MERCK PATENT GMBH (DE) 2014-10-29 EP disclosed
US-20140111730-A1 Liquid-crystalline medium, method for the stabilization thereof, and liquid-crystal display MERCK PATENT GMBH (DE) 2014-04-24 US disclosed
EP-2722380-A2 Liquid crystal medium, method for the stabilisation thereof and liquid crystal display Merck Patent GmbH (DE) 2014-04-23 EP disclosed
EP-2722381-A2 Liquid crystal medium, method for the stabilisation thereof and liquid crystal display Merck Patent GmbH (DE) 2014-04-23 EP disclosed
US-20120268706-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 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-20150159088-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM VIM, NEFM, VCL SCN1A 1269/4885SCN2A 1481/4885SCN3A 1167/4885
US-20120268706-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM NEFM, VIM, FLNB SCN1A 1300/4885SCN2A 1530/4885SCN3A 973/4885

“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.