SCHEMBL84599

SCHEMBL84599

CC1CCC(C2CCC(C3(F)Oc4ccc5ccccc5c4-c4c(ccc5ccccc45)O3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
CYP19A1 P11511 1/20 0.33
ACHE P22303 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GAA P10253 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL81590 0.96 KDM4E (0.40) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL14307851 0.84 CYP1A2 (0.40) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL14308044 0.77 CYP1A2 (0.37) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL80771 0.77 TAAR1 (0.39) KDM4EALDH1A1TAAR1GPR84CYP19A1
SCHEMBL12154323 0.77 CYP19A1 (0.48) KDM4EALDH1A1HTTTAAR1GPR84
SCHEMBL91867 0.77 CYP19A1 (0.48) KDM4EALDH1A1HTTTAAR1GPR84
SCHEMBL83697 0.75 TAAR1 (0.40) KDM4EALDH1A1HPGDHSD17B10TAAR1
SCHEMBL83992 0.71 GPR84 (0.46) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL21524247 0.69 CYP19A1 (0.46) KDM4EALDH1A1HTTTAAR1GPR84
SCHEMBL21524299 0.68 CYP19A1 (0.54) KDM4EALDH1A1HPGDALOX15TSHR

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-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
EP-1658350-B1 COMPOUNDS FOR USE IN LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2010-01-20 EP disclosed
EP-1658351-B1 MESOGENIC COMPOUNDS, MEDIUM FOR ELECTRO-OPTICAL DISPLAYS AND ELECTRO-OPTICAL DISPLAY MERCK PATENT GMBH (DE) 2009-10-28 EP disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-7440160-B2 Electro-optical light modulating element, electro-optical display and modulating medium MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
US-7440160-B2 Electro-optical light modulating element, electro-optical display and modulating medium MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
EP-1561150-B1 ELECTROOPTICAL LIGHT MODULATING ELEMENT, ELECTROOPTICAL DISPLAY AND MODULATING MEDIUM MERCK PATENT GMBH (DE) 2007-01-03 EP disclosed