SCHEMBL31142

SCHEMBL31142

CC1(C)CC(OC(=O)C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
POLB P06746 3/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 2/20 0.32
EZH2 Q15910 2/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAPT P10636 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
SCHEMBL19984611 0.89 GAA (0.46) GAAPOLBTSHRATML3MBTL1
SCHEMBL20434798 0.88 GAA (0.43) GAATSHRHTTKMT2ALMNA
SCHEMBL17931347 0.88 GAA (0.42) GAAPOLBTSHRRECQLALDH1A1
SCHEMBL7508238 0.86 GAA (0.50) GAAPOLBTSHRATML3MBTL1
SCHEMBL12972581 0.86 GAA (0.50) GAAPOLBTSHRATML3MBTL1
SCHEMBL19937113 0.86 GAA (0.50) GAAPOLBTSHRATML3MBTL1
SCHEMBL17643678 0.86 GAA (0.41) GAATSHR
SCHEMBL7708866 0.85 GAA (0.49) GAAPOLBTSHRATML3MBTL1
SCHEMBL26785335 0.85 GAA (0.49) GAAPOLBTSHRATML3MBTL1
SCHEMBL12766974 0.85 GAA (0.49) GAAPOLBTSHRATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913897-B2 Compounds and liquid-crystalline medium MERCK PATENT GMBH (DE) 2021-02-09 US disclosed
US-10907100-B2 Compounds and liquid-crystalline medium MERCK PATENT GMBH (DE) 2021-02-02 US disclosed
EP-3623451-B1 COMPOUND MERCK PATENT GMBH (DE) 2021-01-20 EP disclosed
US-10723950-B2 Liquid-crystalline mixtures MERCK PATENT GMBH (DE) 2020-07-28 US disclosed
EP-3400271-B1 LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2020-07-22 EP disclosed
US-10626666-B2 Device for regulating the passage of light MERCK PATENT GMBH (DE) 2020-04-21 US disclosed
EP-3623451-A1 COMPOUND Merck Patent GmbH (DE) 2020-03-18 EP disclosed
WO-2019228939-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-12-05 WO disclosed
WO-2019228938-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-12-05 WO disclosed
US-10465114-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2019-11-05 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
WO-2013060406-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-05-02 WO disclosed
EP-2265691-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-08-29 EP disclosed
WO-2012100901-A1 DEVICE CONTAINING A LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2012-08-02 WO disclosed
WO-2012052100-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
EP-2423294-A1 Switch element comprising a liquid-crystalline medium Merck Patent GmbH (DE) 2012-02-29 EP disclosed
WO-2011154077-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-12-15 WO disclosed
US-20110101270-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 US disclosed
WO-2009129911-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH, (DE) 2009-10-29 WO 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-10913897-B2 Compounds and liquid-crystalline medium VIM, NEFM, AQP1 GAA 4024/4885POLB 264/4885TSHR 4296/4885
US-10907100-B2 Compounds and liquid-crystalline medium VIM, NEFM, AQP1 GAA 3823/4885POLB 318/4885TSHR 4035/4885

“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.