SCHEMBL509455

SCHEMBL509455

CCc1cc(C#N)cc(CC)c1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRG P48443 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
GPR35 Q9HC97 5/20 0.37
CYP2A6 P11509 1/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.35
AR P10275 1/20 0.35
GRIA2 P42262 2/20 0.35
GRIA4 P48058 2/20 0.35
HTT P42858 1/20 0.34
CTBP2 P56545 1/20 0.33

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
SCHEMBL6593052 0.90 RXRA (0.36) RXRARXRGEGLN1GPR35PTGDR2
SCHEMBL21962157 0.86 PTGDR2 (0.35) RXRARXRGEGLN1GPR35PTGDR2
SCHEMBL509433 0.81 AKR1B1 (0.37) EGLN1PTGDR2
SCHEMBL6833033 0.81 HSP90AB1 (0.40) EGLN1GPR35HTT
SCHEMBL25139321 0.80 TTR (0.34) GPR35CYP2A6TTRALBAR
SCHEMBL20279403 0.80 EGLN1 (0.35) EGLN1PTGDR2
SCHEMBL6589469 0.79 RXRA (0.40) RXRARXRGEGLN1GPR35TTR
SCHEMBL2154472 0.78 CYP2A6 (0.41) GPR35CYP2A6TTRALBAR
SCHEMBL2154144 0.78 CYP2A6 (0.41) GPR35CYP2A6TTRALBAR
SCHEMBL1174838 0.77 NPSR1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-8470738-B2 Pyridazinone compound and herbicide containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-25 US disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2406232-A1 PYRIDAZINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-01-18 EP disclosed
EP-2188264-B1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-03-23 EP disclosed
WO-2010104217-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 WO disclosed
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
EP-2188264-A2 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-05-26 EP disclosed
WO-2009035150-A2 4-PHENYL-5-HYDROXY-3(2H)-PYRIDAZINONE DERIVATIVES AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 WO disclosed
EP-0809629-B1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2004-06-30 EP disclosed
US-6746990-B2 INSECTICIDES, ACARICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
US-20030045432-A1 Phenyl-substituted cyclic ketoenols FISCHER REINER (DE) 2003-03-06 US disclosed
US-6358887-B1 PREEMERGENCE, POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-19 US disclosed
EP-0809629-A1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-12-03 EP disclosed
WO-1996025395-A1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-22 WO 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 (3 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-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 RXRA 995/4885RXRG 1118/4885EGLN1 2046/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 RXRA 1426/4885RXRG 813/4885EGLN1 419/4885
US-20030045432-A1 Phenyl-substituted cyclic ketoenols CYP19A1, DDT, CYP8B1 RXRA 316/4885RXRG 164/4885EGLN1 191/4885

“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.