SCHEMBL9504195

SCHEMBL9504195

C=C(C)C(=O)OCCCCCCOc1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
POLB P06746 1/20 0.68
APEX1 P27695 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
TSHR P16473 2/20 0.51
HDAC3 O15379 5/20 0.49
HDAC4 P56524 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
GAA P10253 1/20 0.47
RARB P10826 3/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL14275376 0.99 POLB (0.66) HTTPOLBAPEX1TDP1TSHR
SCHEMBL16982216 0.94 HTT (0.76) HTTPOLBAPEX1TDP1TSHR
SCHEMBL13289974 0.94 HTT (0.76) HTTPOLBAPEX1TDP1TSHR
SCHEMBL13220831 0.94 HTT (0.76) HTTPOLBAPEX1TDP1TSHR
SCHEMBL14400544 0.93 HTT (0.73) HTTPOLBAPEX1TDP1TSHR
SCHEMBL1494215 0.91 POLB (0.56) HTTPOLBAPEX1TDP1HDAC3
SCHEMBL708849 0.90 POLB (0.64) HTTPOLBAPEX1TDP1TSHR
SCHEMBL5485944 0.90 HTT (0.70) HTTPOLBAPEX1TDP1TSHR
SCHEMBL22490713 0.89 HTT (0.68) HTTPOLBAPEX1TDP1TSHR
SCHEMBL22490709 0.89 TSHR (0.69) HTTPOLBAPEX1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5001117-A None JP disclosed
EP-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 US disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
WO-2013060406-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-05-02 WO disclosed
US-7914485-B2 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2011-03-29 US disclosed
US-7914485-B2 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2011-03-29 US disclosed
US-20100016941-A1 MEDICAL DEVICE EMPLOYING LIQUID CRYSTAL BLOCK COPOLYMERS AND METHOD OF MAKING THE SAME BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-01-21 US disclosed
US-20100016941-A1 MEDICAL DEVICE EMPLOYING LIQUID CRYSTAL BLOCK COPOLYMERS AND METHOD OF MAKING THE SAME BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-01-21 US disclosed
US-7582078-B2 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2009-09-01 US disclosed
WO-2008045166-A2 MEDICAL DEVICE EMPLOYING LIQUID CRYSTAL BLOCK COPOLYMERS AND METHOD OF MAKING THE SAME BOSTON SCIENTIFIC LIMITED (BB) 2008-04-17 WO disclosed
US-20070191814-A1 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2007-08-16 US disclosed
US-20070191814-A1 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2007-08-16 US disclosed
JP-H051117-A SIDE CHAIN TYPE POLYMER LIQUID CRYSTAL DAICEL CHEM IND LTD 1993-01-08 JP disclosed