SCHEMBL9510200

SCHEMBL9510200

COCCOc1ccc(C#Cc2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ACACB O00763 1/20 0.49
APP P05067 11/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
TSHR P16473 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL11965490 0.90 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL14926622 0.85 CYP2D6 (0.53) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL14930442 0.85 MCHR1 (0.57) ACACBAPPALDH1A1MCHR1
SCHEMBL14232126 0.85 CYP2D6 (0.53) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL8379631 0.83 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL14926645 0.83 ACACB (0.50) CYP2D6ACACBAPPTSHRMCHR1
SCHEMBL14926643 0.83 ACACB (0.50) ACACBAPPMCHR1
SCHEMBL14231797 0.83 KDM4E (0.56) TDP1ACACBAPPALDH1A1TSHR
SCHEMBL14232324 0.83 CHRNB2 (0.58) ACACBAPPMCHR1
SCHEMBL9510171 0.83 ACACB (0.50) L3MBTL1ACACBAPPDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP claimed
US-9939555-B2 Cinnamic acid derivative, polymer thereof, and liquid crystal alignment layer comprising cured product thereof DIC CORPORATION (JP) 2018-04-10 US disclosed
US-9939555-B2 Cinnamic acid derivative, polymer thereof, and liquid crystal alignment layer comprising cured product thereof DIC CORPORATION (JP) 2018-04-10 US disclosed
US-9708535-B2 Liquid crystal alignment layer DIC CORPORATION (JP) 2017-07-18 US disclosed
US-9708535-B2 Liquid crystal alignment layer DIC CORPORATION (JP) 2017-07-18 US disclosed
US-9684206-B2 Copolymer, and liquid crystal alignment layer including cured product thereof DIC CORPORATION (JP) 2017-06-20 US disclosed
US-9684206-B2 Copolymer, and liquid crystal alignment layer including cured product thereof DIC CORPORATION (JP) 2017-06-20 US disclosed
US-20170088777-A1 LIQUID CRYSTAL ALIGNMENT LAYER DIC CORPORATION (JP) 2017-03-30 US disclosed
US-20170088777-A1 LIQUID CRYSTAL ALIGNMENT LAYER DIC CORPORATION (JP) 2017-03-30 US disclosed
US-20160274418-A1 CINNAMIC ACID DERIVATIVE, POLYMER THEREOF, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING CURED PRODUCT THEREOF DIC CORPORATION (JP) 2016-09-22 US disclosed
US-20140154428-A1 CINNAMIC ACID DERIVATIVE, POLYMER THEREOF, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING CURED PRODUCT THEREOF DIC CORPORATION (JP) 2014-06-05 US disclosed
US-20140154428-A1 CINNAMIC ACID DERIVATIVE, POLYMER THEREOF, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING CURED PRODUCT THEREOF DIC CORPORATION (JP) 2014-06-05 US disclosed
EP-2727903-A1 CINNAMIC ACID DERIVATIVE, POLYMER THEREOF, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING HARDENED PRODUCT OF SAID POLYMER DIC Corporation (JP) 2014-05-07 EP disclosed
US-20140121345-A1 CINNAMIC ACID DERIVATIVE, POLYMER THEREOF, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING CURED PRODUCT THEREOF DIC CORPORATION (JP) 2014-05-01 US disclosed
US-20140121345-A1 CINNAMIC ACID DERIVATIVE, POLYMER THEREOF, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING CURED PRODUCT THEREOF DIC CORPORATION (JP) 2014-05-01 US disclosed
US-20130116396-A1 POLYMER FOR USE IN LIQUID CRYSTAL ALIGNMENT LAYER DIC CORPORATION (JP) 2013-05-09 US disclosed
US-20130116396-A1 POLYMER FOR USE IN LIQUID CRYSTAL ALIGNMENT LAYER DIC CORPORATION (JP) 2013-05-09 US disclosed
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed
EP-0308438-A1 Liquid crystal phase containing tolanes. MERCK PATENT GMBH (DE) 1989-03-29 EP disclosed
WO-1988007514-A1 TOLANES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO disclosed