SCHEMBL731683

SCHEMBL731683

CCCC1CCC(c2cccc(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
DRD2 P14416 2/20 0.43
CHRM4 P08173 1/20 0.41
OPRL1 P41146 4/20 0.40
DRD4 P21917 1/20 0.40
KCNQ2 O43526 1/20 0.40
GRM2 Q14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HCRTR2 O43614 1/20 0.39

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
SCHEMBL2886666 1.00 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10522645 0.98 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9829137 0.98 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2861488 0.95 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10409787 0.95 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8754430 0.95 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL28256043 0.93 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL27871568 0.91 KDM1A (0.41) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL872117 0.89 GRM2 (0.43) MAPTKDM1ARCOR1DRD2CHRM4
SCHEMBL729421 0.89 GRM2 (0.43) MAPTKDM1ARCOR1DRD2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8176033-A None JP disclosed
CN-107573212-B Synthesis method of trans-4-alkyl cyclohexyl benzene structure liquid crystal intermediate and monomer 宁夏中星显示材料有限公司 2020-08-04 CN disclosed
US-20190031957-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-01-31 US disclosed
US-20190031957-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-01-31 US disclosed
CN-109181712-A A kind of benzofuran liquid-crystal compounds and combinations thereof with difluoromethyl ether bridged bond 西安近代化学研究所 2019-01-11 CN disclosed
EP-3408350-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2018-12-05 EP disclosed
WO-2017129216-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-08-03 WO disclosed
WO-2017129216-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-08-03 WO disclosed
EP-2279990-B1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 EP disclosed
EP-2522649-B1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-04-20 EP disclosed
US-6420584-B1 DEPROTONATION USING ALKYL- OR ARYLMETAL COMPOUNDS OR METAL HYDRIDES IN THE PRESENCE OF A CATALYTIC AMOUNT OF A SECONDARY METAL AMIDE. MERCK PATENT GMBH (DE) 2002-07-16 US disclosed
US-20020030179-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS HAVING LARGE NEGATIVE VALUE OF PERMITTIVITY ANISOTROPY, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2002-03-14 US disclosed
US-6348244-B1 COMPOUNDS HAVING 2,3-DIFLUOROPHENYL MOIETY; IN-PLANE SWITCHING DISPLAY DEVICES; VERTICAL ALIGNMENT CELLS CHISSO CORPORATION (JP) 2002-02-19 US disclosed
US-6159393-A Benzene derivatives and liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-12-12 US disclosed
EP-1026143-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS HAVING LARGE NEGATIVE VALUE OF PERMITTIVITY ANISOTROPY, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2000-08-09 EP disclosed
EP-1010702-A2 Process for preparing ortho-substituted aryl metal compounds and their conversion with electrophiles MERCK PATENT GmbH (DE) 2000-06-21 EP disclosed
EP-0775101-B1 BENZENE DERIVATIVES AND LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2000-05-03 EP disclosed
EP-0775101-A1 BENZENE DERIVATIVES AND LIQUID CRYSTAL MEDIUM MERCK PATENT GmbH (DE) 1997-05-28 EP disclosed
JP-H08176033-A BENZENE DERIVATIVE MERCK PATENT GMBH 1996-07-09 JP disclosed
WO-1996005159-A1 BENZENE DERIVATIVES AND LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 1996-02-22 WO disclosed