SCHEMBL457470

SCHEMBL457470

CCc1cc(C)cc(CC)c1C(=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TPMT P51580 1/20 0.38
PLA2G2A P14555 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HCAR1 Q9BXC0 1/20 0.33
GPR35 Q9HC97 1/20 0.33
HPGD P15428 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
PPARG P37231 1/20 0.33
MAPK10 P53779 1/20 0.33
NCOA2 Q15596 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL469834 0.83 RXRA (0.40) L3MBTL1ALDH1A1KMT2AMEN1GAA
SCHEMBL15341175 0.83 KDM4E (0.36) KDM4EL3MBTL1TPMTPLA2G2ANPSR1
SCHEMBL28268711 0.82 KDM4E (0.50) KDM4EL3MBTL1TPMTNPSR1HCAR1
SCHEMBL457973 0.81 KDM4E (0.35) KDM4EL3MBTL1TPMTPLA2G2ANPSR1
SCHEMBL28898307 0.79 KDM4E (0.38) KDM4EL3MBTL1TPMTPLA2G2ANPSR1
SCHEMBL458248 0.78 NR1H2 (0.39) KDM4EL3MBTL1GPR35ALDH1A1HTT
SCHEMBL27926107 0.78 BACE1 (0.37) KDM4EL3MBTL1ALDH1A1HTTLMNA
SCHEMBL17131532 0.78 KDM4E (0.37) KDM4EL3MBTL1TPMTNPSR1HCAR1
SCHEMBL458213 0.76 KDM4E (0.38) KDM4EL3MBTL1PLA2G2ANPSR1ALDH1A1
SCHEMBL580070 0.76 POLB (0.39) KDM4EL3MBTL1TPMTPLA2G2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-9029295-B2 Pyridazinone compound and herbicide and noxious arthropod controlling agent comprising it SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-12 US disclosed
US-9029295-B2 Pyridazinone compound and herbicide and noxious arthropod controlling agent comprising it SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-12 US 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-20130281299-A1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT SUMITOMO CHEMICAL COMPANY,LIMITED (JP) 2013-10-24 US 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
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
WO-2012091156-A1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 WO disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 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 (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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 KDM4E 1552/4885L3MBTL1 2609/4885TPMT 62/4885
US-20130281299-A1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT ACHE, CBR3, DDT KDM4E 2304/4885L3MBTL1 32/4885TPMT 4381/4885

“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.