SCHEMBL9971643

SCHEMBL9971643

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)N1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.32
GAA P10253 2/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDH1 O75874 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL10457852 0.94
SCHEMBL14038169 0.93 KCNH2 (0.31) KCNH2GAAXBP1ATMNPSR1
SCHEMBL172351 0.93 GAA (0.35) KCNH2GAAXBP1ATMNPSR1
SCHEMBL23544539 0.93 GAA (0.35) KCNH2GAAXBP1ATMNPSR1
SCHEMBL2813206 0.92 GAA (0.31) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17791350 0.88 GAA (0.34) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL16803235 0.88 GAA (0.34) KCNH2GAAXBP1ATMNPSR1
SCHEMBL12345496 0.88 GAA (0.32) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL13677623 0.88 GAA (0.32) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL805448 0.87 NR5A2 (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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120224124-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-06 US disclosed
US-8202584-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2012-06-19 US disclosed
US-20100252777-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-07 US disclosed
US-7740769-B2 Liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-06-22 US disclosed
US-7678432-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-03-16 US disclosed
US-7425355-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-09-16 US disclosed
US-20080088789-A1 Liquid-crystalline medium MERCK PATENT GMBH 2008-04-17 US disclosed
US-20070187644-A1 Liquid crystal compound, liquid crystal composition, and liquid crystal display device JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2007-08-16 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-20120224124-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID CRYSTAL DISPLAYS VCL, LPXN, LCP1 KCNH2 3215/4885GAA 3052/4885XBP1 4290/4885
US-20080088789-A1 Liquid-crystalline medium F12, CHRM1, NEFM KCNH2 3340/4885GAA 1863/4885XBP1 939/4885

“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.