SCHEMBL13554256

SCHEMBL13554256

COc1ccc(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
HTT P42858 2/20 0.53
TSHR P16473 2/20 0.51
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ALDH1A1 P00352 4/20 0.46
ESR1 P03372 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40

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 0.91 GAA (0.61) GAAHTTTSHRALDH1A1ESR1
SCHEMBL20711670 0.88 GAA (0.56) GAAHTTTSHRCA1CA2
SCHEMBL19720327 0.87 TSHR (0.50) GAAHTTTSHRCA1CA2
SCHEMBL13474871 0.87 TSHR (0.56) GAAHTTTSHRCA1CA2
SCHEMBL13554252 0.86 TSHR (0.58) GAAHTTTSHRALDH1A1ESR1
SCHEMBL19976793 0.85 GAA (0.56) GAAHTTTSHRALDH1A1ESR1
SCHEMBL13554333 0.85 SCN1A (0.56) GAAHTTTSHRALDH1A1ESR1
SCHEMBL13126360 0.85 TSHR (0.57) GAAHTTTSHRALDH1A1ESR1
SCHEMBL19884590 0.84 GAA (0.54) GAAHTTTSHRALDH1A1ESR1
SCHEMBL243559 0.84 TSHR (0.70) GAAHTTTSHRALDH1A1ESR1

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-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-10189928-B2 Curable composition, pattern forming method, pattern, and method for manufacturing device FUJIFILM CORPORATION (JP) 2019-01-29 US disclosed
US-20180163134-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-06-14 US 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-2722381-A2 Liquid crystal medium, method for the stabilisation thereof and liquid crystal display Merck Patent GmbH (DE) 2014-04-23 EP 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
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 GAA 3565/4885HTT 3107/4885TSHR 4352/4885
US-20120268706-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM NEFM, VIM, FLNB GAA 4098/4885HTT 2837/4885TSHR 4504/4885

“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.