SCHEMBL83992

SCHEMBL83992

CC1(F)Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 4/20 0.40
CYP2A6 P11509 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
HPRT1 P00492 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL13250630 0.79 GPR84 (0.44) GPR84KDM4EALDH1A1TSHRHSD17B10
SCHEMBL84231 0.73 TAAR1 (0.49) GPR84KDM4EALDH1A1TSHRHSD17B10
SCHEMBL14062625 0.73 HTR1A (0.48) GPR84KDM4EALDH1A1TSHRHSD17B10
SCHEMBL2708355 0.73 ALOX5 (0.35) TSHRHTTMAPTTDP1GAA
SCHEMBL5899656 0.72 GPR84 (0.52) GPR84KDM4EALDH1A1TSHRHSD17B10
SCHEMBL13250622 0.72 ALDH1A1 (0.38) GPR84KDM4EALDH1A1TSHRHSD17B10
SCHEMBL84599 0.71 KDM4E (0.38) GPR84KDM4EALDH1A1TSHRHSD17B10
SCHEMBL13443837 0.69 GPR84 (0.49) GPR84KDM4EALDH1A1TSHRHSD17B10
SCHEMBL9782961 0.68 GPR84 (0.52) GPR84KDM4EALDH1A1TSHRHSD17B10
SCHEMBL8231432 0.68 GPR84 (0.52) GPR84KDM4EALDH1A1TSHRHSD17B10

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