SCHEMBL172340

SCHEMBL172340

C=C(C)c1cc(CCC(=O)OC)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
POLB P06746 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 4/20 0.36
ALOX5 P09917 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
RPS6KB2 Q9UBS0 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12340307 0.84 ALDH1A1 (0.40) KDM4EALDH1A1HPGDALOX5HSD17B10
SCHEMBL10752939 0.84 KDM4E (0.49) KDM4EPOLBSIRT2NPC1RAB9A
SCHEMBL25021957 0.83 KDM4E (0.46) KDM4EPOLBSIRT2NPC1RAB9A
SCHEMBL7068865 0.81 GAA (0.47) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL31360 0.81 GAA (0.47) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL29350844 0.81 GAA (0.47) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL14791620 0.81 NPC1 (0.35) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL14791583 0.81 NPC1 (0.40) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL29142799 0.80 KDM4E (0.47) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL11979660 0.79 ALOX5 (0.39) SIRT2ALDH1A1ALOX5HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361568-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2013-01-29 US disclosed
US-20120305843-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-20120261615-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-18 US disclosed
EP-2176376-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-09-19 EP disclosed
EP-1908811-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2012-08-29 EP disclosed
US-20120205583-A1 COMPOUNDS FOR A LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING SAID LIQUID CRYSTAL MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-16 US disclosed
US-8236390-B2 Liquid-crystalline medium MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-08-07 US disclosed
WO-2012097858-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2012-07-26 WO disclosed
US-20120182200-A1 COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 US disclosed
EP-2265692-B1 THIOPHENE DERIVATIVES, AND LC MEDIA CONTAINING THE SAME MERCK PATENT GMBH (DE) 2012-07-04 EP disclosed
US-20070269614-A1 Containing at least two nitrile-free mesogenic compounds, one of which contains rings including a phenyl ring llinked by at least one -CF2O- group; electrooptical dispalys HECKMEIER MICHAEL 2007-11-22 US disclosed
US-7294368-B2 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-11-13 US disclosed
EP-1565540-B1 LIQUID CRYSTALLINE COMPOUNDS MERCK PATENT GMBH (DE) 2007-09-26 EP disclosed
EP-1563035-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2007-09-12 EP disclosed
US-20070176144-A1 Liquid crystal composition for bistable liquid crystal devices MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2007-08-02 US disclosed
EP-1420057-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2007-05-16 EP disclosed
US-7189440-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-13 US disclosed
WO-2007017008-A1 ELECTRO-OPTICAL LIGHT MODULATION ELEMENT, DISPLAY AND MEDIUM MERCK PATENT GMBH (DE) 2007-02-15 WO disclosed
WO-2007017180-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2007-02-15 WO disclosed
EP-1746079-A2 Fluorinated biphenyl compounds for use in liquid crystal compositions Merck Patent GmbH (DE) 2007-01-24 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 (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-20120205583-A1 COMPOUNDS FOR A LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING SAID LIQUID CRYSTAL MEDIUM CHRM1, CXCR1, CCNL2 KDM4E 4148/4885POLB 3392/4885SIRT2 3547/4885
US-20120182200-A1 COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND LIQUID-CRYSTALLINE MEDIA SFRP1, CRY1, MCM3 KDM4E 4052/4885POLB 3505/4885SIRT2 2785/4885
US-20120261615-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MCM5, MCM3, MCM7 KDM4E 3780/4885POLB 2690/4885SIRT2 3247/4885
US-20120305843-A1 LIQUID CRYSTALLINE MEDIUM NEFM, VIM, PLG KDM4E 3357/4885POLB 439/4885SIRT2 2403/4885

“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.