SCHEMBL509463

SCHEMBL509463

CCc1cc(-c2ccc(Cl)cc2)cc(CC)c1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.43
PTGS1 P23219 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.42
ABCB1 P08183 1/20 0.42
AKR1B1 P15121 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 1/20 0.41
ABCB11 O95342 1/20 0.40
PTGS2 P35354 1/20 0.40
FFAR1 O14842 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL509087 0.85 PTGS1 (0.47) PTGS1KDM4ECA12CA9RXRA
SCHEMBL509517 0.84 PTGS1 (0.58) PTGS1AKR1B1KDM4E
SCHEMBL509958 0.82 PTGDR2 (0.46) PTGDR2ABCB1AKR1B1KDM4EABCB11
SCHEMBL812156 0.81 PTGDR2 (0.47) PTGDR2PTGS1SUCNR1ABCB1AKR1B1
SCHEMBL27795274 0.81 RXRA (0.45) PTGS1KDM4ERXRARXRBRXRG
SCHEMBL508984 0.81 PTGS1 (0.51) PTGDR2PTGS1SUCNR1ABCB1AKR1B1
SCHEMBL509730 0.77 SUCNR1 (0.50) PTGDR2PTGS1SUCNR1ABCB1KDM4E
SCHEMBL2375818 0.76 CA12 (0.41) PTGDR2PTGS1SUCNR1ABCB1AKR1B1
SCHEMBL2347456 0.76 SUCNR1 (0.50) PTGDR2PTGS1SUCNR1KDM4EDRD2
SCHEMBL491539 0.75 ABCC4 (0.52) PTGDR2PTGS1AKR1B1KDM4ERXRA

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-2188264-B1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-03-23 EP 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 PTGDR2 880/4885PTGS1 1886/4885SUCNR1 4595/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 PTGDR2 1348/4885PTGS1 1595/4885SUCNR1 3215/4885

“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.