SCHEMBL509517

SCHEMBL509517

CCc1cc(-c2ccccc2)cc(CC)c1CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.58
GAA P10253 2/20 0.50
ABCC4 O15439 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
PTPN1 P18031 2/20 0.45
PTPN2 P17706 1/20 0.45
PTPN6 P29350 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
AKR1B1 P15121 3/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL508984 0.89 PTGS1 (0.51) PTGS1GAAABCC4LMNATSHR
SCHEMBL508993 0.86 PTGS1 (0.49) PTGS1GAAABCC4LMNATSHR
SCHEMBL509087 0.86 PTGS1 (0.47) PTGS1GAALMNASMN1; SMN2MAPT
SCHEMBL509612 0.85 PTGS1 (0.48) PTGS1GAAABCC4LMNATSHR
SCHEMBL509463 0.84 PTGDR2 (0.43) PTGS1AKR1B1KDM4E
SCHEMBL29068247 0.82 PTGS1 (0.44) PTGS1PTPN1PTPN2PTPN6SMN1; SMN2
SCHEMBL27795274 0.82 RXRA (0.45) PTGS1GAAABCC4LMNATSHR
SCHEMBL509798 0.78 AKR1B1 (0.54) GAATSHRMAPTAKR1B1EGFR
SCHEMBL509065 0.76 RXRA (0.40) GAALMNATSHRMAPTAKR1B1
SCHEMBL1023740 0.76 PTPN1 (0.55) PTGS1PTPN1PTPN2PTPN6SMN1; 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 7 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

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 PTGS1 1886/4885GAA 4766/4885ABCC4 3261/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 PTGS1 1595/4885GAA 2341/4885ABCC4 212/4885

“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.