SCHEMBL4434166

SCHEMBL4434166

CC=Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.46
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HDAC1 Q13547 3/20 0.40
KDM1A O60341 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.36
RPS6KA3 P51812 1/20 0.36
CNR2 P34972 1/20 0.36
ALOX5 P09917 1/20 0.35
HDAC2 Q92769 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL12230850 1.00 NFE2L2 (0.46) NFE2L2PDE3BPDE3AHDAC1KDM1A
SCHEMBL20888423 1.00 NFE2L2 (0.46) NFE2L2PDE3BPDE3AHDAC1KDM1A
SCHEMBL11957388 1.00 NFE2L2 (0.46) NFE2L2PDE3BPDE3AHDAC1KDM1A
SCHEMBL13111462 0.91 NFE2L2 (0.44) NFE2L2PDE3BPDE3AHDAC1KDM1A
SCHEMBL13239294 0.87 CNR2 (0.36) NFE2L2HDAC1KDM1AHDAC6PTGS2
SCHEMBL13239282 0.85 CNR2 (0.37) NFE2L2HDAC1KDM1AHDAC6CNR2
SCHEMBL13412062 0.85 CNR2 (0.37) NFE2L2HDAC1KDM1AHDAC6CNR2
SCHEMBL13444659 0.84 PDE3B (0.47) NFE2L2PDE3BPDE3AHDAC1KDM1A
SCHEMBL170435 0.84 PDE3B (0.49) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL13636826 0.84 PTGS2 (0.41) NFE2L2PDE3BPDE3AHDAC1KDM1A

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
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-11788009-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-10-17 US disclosed
WO-2017178419-A1 COMPOSITION FOR NANOENCAPSULATION AND NANOCAPSULES COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-10-19 WO disclosed
US-20170002269-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
US-20170002269-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
EP-3112441-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2017-01-04 EP disclosed
US-20150184077-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-07-02 US disclosed
US-20150184077-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-07-02 US disclosed
WO-2012052104-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed