SCHEMBL2813206

SCHEMBL2813206

C=C1CC(OC(=O)C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(CCCC)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)N1C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.31
XBP1 P17861 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IDH1 O75874 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 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
SCHEMBL14038169 0.94 KCNH2 (0.31) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10037921 0.94
SCHEMBL9971643 0.92 KCNH2 (0.32) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL23544539 0.92 GAA (0.35) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL172351 0.92 GAA (0.35) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL12431272 0.91 NR5A2 (0.30)
SCHEMBL17791350 0.88 GAA (0.34) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL16803235 0.87 GAA (0.34) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL12345496 0.87 GAA (0.32) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL13677623 0.87 GAA (0.32) GAAXBP1ATMNPSR1L3MBTL1

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-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-27 US disclosed
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-8114310-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-20120001123-A1 THIOPHENE DERIVATIVES, AND LC MEDIA COMPRISING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-05 US disclosed
US-8043671-B2 Liquid-crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-25 US disclosed
US-8025935-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2011-09-27 US disclosed
US-8017200-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2011-09-13 US disclosed
US-20110140039-A1 Liquid-crystalline medium MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-06-16 US disclosed
US-7922934-B2 s-Indacene and indeno[5,6-d][1,3]dioxol-derivatives and use thereof as components of liquid-crystal mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-04-12 US disclosed
US-7854970-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-21 US disclosed
US-7670655-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-03-02 US disclosed
US-20090324853-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2009-12-31 US disclosed
US-7582337-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-09-01 US disclosed
US-20080197319-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-21 US disclosed
US-7390538-B2 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2008-06-24 US disclosed
US-20080121843-A1 Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices HECKMEIER MICHAEL 2008-05-29 US disclosed
US-20080083902-A1 an 1-alkoxy-2,3-difluoro-4-cyclohexylenyl-benzene, and a 4,4'(alkyl, alkenyl or alkoxy) bicyclohexyl or a (4 or 4')-(alkyl, alkenyl or alkoxy)phenyl cyclohexane; high specific resistance, short response times, low threshold voltage; for electro-optical liquid-crystal dispaly MERCK PATENT GMBH 2008-04-10 US disclosed
US-7294368-B2 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-11-13 US disclosed
US-20070176144-A1 Liquid crystal composition for bistable liquid crystal devices MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2007-08-02 US disclosed
US-7250198-B2 For electrooptical display MERCK PATENT GMBH (DE) 2007-07-31 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 (4 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-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM NEFM, VIM, PLG GAA 2524/4885XBP1 4714/4885ATM 210/4885
US-20080083902-A1 an 1-alkoxy-2,3-difluoro-4-cyclohexylenyl-benzene, and a 4,4'(alkyl, alkenyl or alkoxy) bicyclohexyl or a (4 or 4')-(alkyl, alkenyl or alkoxy)phenyl cyclohexane; high specific resistance, short response times, low threshold voltage; for electro-optical liquid-crystal dispaly TRPC4, TRPV4, CACNB4 GAA 4562/4885XBP1 2687/4885ATM 3062/4885
US-20120001123-A1 THIOPHENE DERIVATIVES, AND LC MEDIA COMPRISING SAME TEC, TPMT, TST GAA 4149/4885XBP1 3443/4885ATM 920/4885
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM CUTA, NEFM, FES GAA 4658/4885XBP1 3509/4885ATM 1453/4885

“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.