SCHEMBL509536

SCHEMBL509536

C#Cc1cc(C)cc(CC)c1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
KDM4C Q9H3R0 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SRC P12931 1/20 0.34
PTGS2 P35354 4/20 0.34
AKR1B1 P15121 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLA2G2A P14555 1/20 0.32
AURKA O14965 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32

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
SCHEMBL509690 0.84 KDM4E (0.38) MAPTKDM4EPOLBKDM4CMEN1
SCHEMBL509946 0.83 KDM4E (0.46) MAPTKDM4EPOLBKDM4CMEN1
SCHEMBL510120 0.82 MAPT (0.46) MAPTKDM4EPOLBKDM4CMEN1
Hydrochloric Acid SCHEMBL20740117 0.81 MAPT (0.45) MAPTKDM4EPOLBKDM4CMEN1
SCHEMBL27907584 0.80 AKR1B1 (0.31) AKR1B1
SCHEMBL509612 0.79 PTGS1 (0.48) MAPTKDM4EGAATSHRAKR1B1
SCHEMBL510473 0.78 KDM4E (0.50) MAPTKDM4EPOLBKDM4CMEN1
SCHEMBL509433 0.76 AKR1B1 (0.37) MAPTKDM4EPOLBMEN1ALDH1A1
SCHEMBL22067766 0.75 MAPT (0.41) MAPTKDM4EPOLBKDM4CMEN1
SCHEMBL509482 0.75 MAPT (0.41) MAPTKDM4EPOLBKDM4CMEN1

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 10 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
CN-102421759-A Pyridazinone compounds and use thereof SUMITOMO CHEMICAL CO 2012-04-18 CN 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 (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-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 MAPT 4297/4885KDM4E 3295/4885POLB 3763/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 MAPT 4247/4885KDM4E 1987/4885POLB 3977/4885

“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.