SCHEMBL1416745

SCHEMBL1416745

Fc1ccc(-c2nccc3ccccc23)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.55
MAPK14 Q16539 7/20 0.49
MAPK13 O15264 3/20 0.49
MAPK12 P53778 3/20 0.49
MAPK11 Q15759 3/20 0.49
KMO O15229 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
CYP2A6 P11509 1/20 0.41
F12 P00748 1/20 0.41
PLAU P00749 1/20 0.41
NCF1 P14598 1/20 0.41

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
SCHEMBL3258038 0.98 TRPA1 (0.54) TRPA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12320581 0.84 TRPA1 (0.49) TRPA1MAPK14NPC1RAB9AKDM4E
SCHEMBL28877246 0.76 MAPK14 (0.52) MAPK14NPC1RAB9AKDM4EKMT2A
SCHEMBL4738173 0.76 HTR1A (0.49) TRPA1KMONPC1RAB9AKDM4E
SCHEMBL3391756 0.76 BCHE (0.54) TRPA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL28013666 0.75 BCHE (0.43) TRPA1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL1968632 0.75 TDO2 (0.57) TRPA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12320580 0.75 CYP2A6 (0.46) TRPA1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL27551412 0.75 CYP2A6 (0.46) TRPA1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL15668535 0.75 PLAU (0.46) TRPA1NPC1RAB9AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9722192-B2 Metal complex, preparation method and use thereof, and display device BOE TECHNOLOGY GROUP CO., LTD. (CN) 2017-08-01 US disclosed
US-9722192-B2 Metal complex, preparation method and use thereof, and display device BOE TECHNOLOGY GROUP CO., LTD. (CN) 2017-08-01 US disclosed
US-20160380215-A1 METAL COMPLEX, PREPARATION METHOD AND USE THEREOF, AND DISPLAY DEVICE BOE TECHNOLOGY GROUP CO., LTD. (CN) 2016-12-29 US disclosed
EP-2492276-B1 METAL COMPLEX, POLYMER, AND ELEMENT OBTAINED USING SAME SUMITOMO CHEMICAL CO (JP) 2014-10-08 EP disclosed
EP-2492276-A1 METAL COMPLEX, POLYMER, AND ELEMENT OBTAINED USING SAME Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
US-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 US disclosed
US-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 US disclosed
EP-2306789-A1 Phenyl-pyridine compounds E. I. du Pont de Nemours and Company (US) 2011-04-06 EP disclosed
EP-2306788-A1 Iridium compounds and devices made therewith E. I. du Pont de Nemours and Company (US) 2011-04-06 EP disclosed
EP-2299785-A1 Iridium compounds E. I. du Pont de Nemours and Company (US) 2011-03-23 EP disclosed
US-20040191959-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds GRUSHIN VLADIMIR (US) 2004-09-30 US disclosed
US-20040108507-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-06-10 US disclosed
US-20040106007-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds GRUSHIN VLADIMIR (US) 2004-06-03 US disclosed
US-20040094769-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylprimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-05-20 US disclosed
US-20040089867-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-05-13 US disclosed
US-20040072018-A1 Metallic complexes covalently bound to conjugated polymers and electronic devices containing such compositions LG CHEM, LTD. (KR) 2004-04-15 US disclosed
WO-2004015025-A1 METALLIC COMPLEXES COVALENTLY BOUND TO CONJUGATED POLYMERS AND ELECTRONIC DEVICES CONTAINING SUCH COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2004-02-19 WO disclosed
US-6670645-B2 Bright, efficient, stable; increased volatility for lower temperature vacuum deposition preventing decomposition E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-30 US disclosed
WO-2003063555-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WIHT FLUORINATED PHENYLPYRIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-07-31 WO disclosed
US-20020190250-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2002-12-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160380215-A1 METAL COMPLEX, PREPARATION METHOD AND USE THEREOF, AND DISPLAY DEVICE ORC3, RPS3, AOC3 TRPA1 807/4885MAPK14 4098/4885MAPK13 4054/4885
US-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME HDAC10, EMG1, PRMT1 TRPA1 792/4885MAPK14 2929/4885MAPK13 3225/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.