SCHEMBL509528

SCHEMBL509528

CCc1[c]c(CC)cc(OC(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.35
PTGS2 P35354 6/20 0.35
TSHR P16473 1/20 0.34
GPR3 P46089 2/20 0.33
LMNA P02545 1/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
PDE2A O00408 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CRHR1 P34998 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
SCHEMBL4195412 0.89 PTGS1 (0.32) PTGS1PTGS2TSHRGPR3LMNA
SCHEMBL3093135 0.77 GPR3 (0.37) TSHRGPR3LMNANOS3NOS1
SCHEMBL21190211 0.76 TSHR (0.41) PTGS1PTGS2TSHRGPR3LMNA
SCHEMBL455905 0.73 ALDH1A1 (0.48) PTGS2TSHRPOLBALDH1A1
SCHEMBL4187940 0.71 GPR3 (0.38) PTGS1PTGS2GPR3L3MBTL1POLB
SCHEMBL509184 0.71 GABRB3 (0.37) PTGS1TSHRPDE2A
SCHEMBL21180470 0.71 PDE2A (0.41) PTGS1PTGS2TSHRGPR3LMNA
SCHEMBL7169334 0.71 TSHR (0.38) TSHRGPR3LMNANOS3NOS1
SCHEMBL12886256 0.69 FFAR4 (0.40) PTGS1PTGS2TSHRGPR3PDE2A
SCHEMBL18781270 0.69 ALDH1A1 (0.44) PTGS2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029295-B2 Pyridazinone compound and herbicide and noxious arthropod controlling agent comprising it SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-12 US disclosed
EP-2658845-B1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT SUMITOMO CHEMICAL CO (JP) 2015-02-25 EP disclosed
US-20130281299-A1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT SUMITOMO CHEMICAL COMPANY,LIMITED (JP) 2013-10-24 US disclosed
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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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

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

For each of this compound's patents that has machine-readable text (4 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 PTGS1 1886/4885PTGS2 2562/4885TSHR 270/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 PTGS1 1595/4885PTGS2 2045/4885TSHR 357/4885
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR PTGS1 1948/4885PTGS2 1950/4885TSHR 2378/4885
US-20130281299-A1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT ACHE, CBR3, DDT PTGS1 797/4885PTGS2 1486/4885TSHR 1981/4885

“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.