SCHEMBL13433641

SCHEMBL13433641

COc1ccc(C#Cc2ccc(C3CCC(C)CC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
ESR2 Q92731 1/20 0.49
DRD2 P14416 1/20 0.45
GRM3 Q14832 2/20 0.43
KCNH2 Q12809 1/20 0.42
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ACACB O00763 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
SCHEMBL9508933 1.00 APP (0.49) APPESR2DRD2GRM3KCNH2
SCHEMBL9511315 0.95 APP (0.45) APPESR2DRD2GRM3KCNH2
SCHEMBL803244 0.89 ESR2 (0.59) ESR2DRD2KDM1AMAOAMAOB
SCHEMBL9742686 0.88 SLC6A2 (0.42) APPESR2DRD2GRM3
SCHEMBL9742692 0.88 SLC6A2 (0.42) APPESR2DRD2GRM3
SCHEMBL6460760 0.85 APP (0.41) APPDRD2GRM3KCNH2KDM1A
SCHEMBL9497411 0.85 ESR2 (0.41) APPESR2DRD2GRM3ACACB
SCHEMBL6460762 0.85 APP (0.41) APPDRD2GRM3KCNH2KDM1A
SCHEMBL9497397 0.85 ESR2 (0.41) APPESR2DRD2GRM3ACACB
SCHEMBL26347795 0.85 ALDH1A1 (0.51) APPDRD2GRM3KCNH2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021253624-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT OR LIQUID CRYSTAL DISPLAY 石家庄诚志永华显示材料有限公司 2021-12-23 WO disclosed
WO-2021253628-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT, AND LIQUID CRYSTAL DISPLAY 石家庄诚志永华显示材料有限公司 2021-12-23 WO disclosed
US-9737854-B2 Process for the purification of a liquid-crystal mixture MERCK PATENT GMBH (DE) 2017-08-22 US disclosed
US-9714381-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-07-25 US disclosed
US-20140217325-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2014-08-07 US disclosed
US-7670502-B2 Liquid crystal composition for bistable liquid crystal devices MERCK PATENT GMBH (DE) 2010-03-02 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-7258903-B2 Fast switching liquid crystal compositions for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-08-21 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