SCHEMBL466416

SCHEMBL466416

CCc1cc(C)ccc1C(CC)C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
ALDH1A1 P00352 4/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
LMNA P02545 2/20 0.34
TRPA1 O75762 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL510121 0.86 SRC (0.48) SRCALDH1A1AKR1C3AKR1C2TAS1R3
SCHEMBL2167808 0.82 CYP1A2 (0.41) SRCALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL3081525 0.81 TAS1R3 (0.42) SRCALDH1A1AKR1C3AKR1C2TAS1R3
SCHEMBL3001746 0.78 SRC (0.40) SRCALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL28732227 0.77 SRC (0.38) SRCALDH1A1AKR1C3AKR1C2TAS1R3
SCHEMBL509088 0.76 AKR1C3 (0.41) SRCALDH1A1AKR1C3AKR1C2MEN1
SCHEMBL2429894 0.75 SRC (0.36) SRCSLC6A2SMN1; SMN2MEN1KMT2A
SCHEMBL509062 0.75 SRC (0.47) SRCALDH1A1LMNATRPA1CHRM1
SCHEMBL28693586 0.74 SRC (0.41) SRCALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL15326052 0.73 ALDH1A1 (0.50) ALDH1A1AKR1C3AKR1C2LMNASMN1; SMN2

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-9096534-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-04 US disclosed
US-9096533-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-04 US disclosed
US-20150126738-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2015-05-07 US disclosed
US-20150126739-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2015-05-07 US disclosed
US-8962625-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-24 US disclosed
US-8541414-B2 Pyridazinone compound and use thereof as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-24 US disclosed
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-8435549-B2 Halogen alkoxy spirocyclic tetramic and tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-05-07 US disclosed
US-8383853-B2 Method for preparing 2,6-diethyl-4-methylphenylacetic acid BAYER CROPSCIENCE AG (DE) 2013-02-26 US disclosed
US-20120196750-A1 PYRIDAZINONE COMPOUND AND USE THEREOF KIJI TOSHIYUKI (JP) 2012-08-02 US disclosed
EP-2187745-A2 HERBICIDAL COMPOSITION Sumitomo Chemical Company, Limited (JP) 2010-05-26 EP disclosed
EP-2187744-A2 HERBICIDAL COMPOSITION COMPRISING A PYRIDAZINONE COMPOUND WITH A SPECIFIC HERBICIDE AND A SPECIFIC SAFENER Sumitomo Chemical Company, Limited (JP) 2010-05-26 EP disclosed
EP-1996557-B1 PYRIDAZINONE COMPOUND AND USE THEREOF AS HERBICIDES SUMITOMO CHEMICAL CO (JP) 2010-03-03 EP disclosed
US-20090111696-A1 Pyridazinone Compound and Use Thereof as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
WO-2009035145-A2 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 WO disclosed
WO-2009035151-A2 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 WO disclosed
WO-2009035146-A2 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 WO disclosed
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-12-25 US disclosed
EP-1996557-A1 PYRIDAZINONE COMPOUND AND USE THEREOF AS HERBICIDES Sumitomo Chemical Company, Limited (JP) 2008-12-03 EP disclosed
WO-2007119434-A1 PYRIDAZINONE COMPOUND AND USE THEREOF AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-25 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 (5 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-20150126738-A1 PYRIDAZINONE COMPOUND AND USE THEREOF PDXK, PLPBP, PNPO SRC 4792/4885ALDH1A1 331/4885AKR1C3 898/4885
US-20150126739-A1 PYRIDAZINONE COMPOUND AND USE THEREOF PDXK, PLPBP, PNPO SRC 4792/4885ALDH1A1 331/4885AKR1C3 898/4885
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives DDT, TET1, TET3 SRC 3276/4885ALDH1A1 992/4885AKR1C3 2811/4885
US-20120196750-A1 PYRIDAZINONE COMPOUND AND USE THEREOF PDXK, PLPBP, PNPO SRC 4792/4885ALDH1A1 331/4885AKR1C3 898/4885
US-20090111696-A1 Pyridazinone Compound and Use Thereof as herbicides PDXK, DDT, PLPBP SRC 4272/4885ALDH1A1 171/4885AKR1C3 742/4885

“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.