SCHEMBL4960651

SCHEMBL4960651

CC(CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.30
TSHR P16473 2/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16790838 0.94 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL19884609 0.93 GAA (0.36) GAAHTTCYP2D6LMNA
SCHEMBL19884574 0.93 GAA (0.36) GAAHTTCYP2D6LMNA
SCHEMBL13554332 0.92 GAA (0.36) GAAHTTCYP2D6LMNATSHR
SCHEMBL19884600 0.91 GAA (0.35) GAAHTTCYP2D6LMNA
SCHEMBL13108967 0.88 CYP2D6 (0.34) GAACYP2D6LMNACYP2C19TSHR
SCHEMBL4960656 0.88 GAA (0.40) GAAHTTCYP2D6LMNATSHR
SCHEMBL7506478 0.86 GAA (0.41) GAAHTTCYP2D6LMNATSHR
SCHEMBL15686228 0.86 GAA (0.41) GAAHTTCYP2D6LMNATSHR
SCHEMBL13123818 0.85 CYP2D6 (0.31) CYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095006-B1 DERIVATIVES OF 1-OXYL-4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDINE AS POLYMERIZATION INHIBITORS FOR (METH) ACRYLATE MONOMERS CIBA HOLDING INC (CH) 2008-12-24 EP claimed
WO-2022136223-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS MERCK PATENT GMBH (DE) 2022-06-30 WO disclosed
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
EP-3327102-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2020-04-15 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
WO-2017198637-A1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-11-23 WO 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-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
EP-1095006-B1 DERIVATIVES OF 1-OXYL-4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDINE AS POLYMERIZATION INHIBITORS FOR (METH) ACRYLATE MONOMERS CIBA HOLDING INC (CH) 2008-12-24 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-20150159088-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM VIM, NEFM, VCL GAA 3565/4885HTT 3107/4885CYP2D6 3788/4885

“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.