SCHEMBL508558

SCHEMBL508558

CCc1cc(OC(F)(F)F)cc(CC)c1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.47
PTGS1 P23219 7/20 0.47
HSD17B10 Q99714 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.38
POLB P06746 2/20 0.36
CYP2C9 P11712 1/20 0.36
PTGER4 P35408 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
RIN1 Q13671 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

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
SCHEMBL509824 0.79 HSD17B10 (0.54) PTGS1HSD17B10POLBCYP2C9KDM4E
SCHEMBL340962 0.78 THRB (0.43) PTGS2PTGS1POLBCYP2C9RXRA
SCHEMBL10212137 0.78 AKR1B1 (0.47) PTGS2PTGS1PTGDR2CYP2C9MAPT
SCHEMBL19475238 0.78 THRA (0.39) PTGS2PTGS1CYP2C9
SCHEMBL509209 0.77 RXRA (0.49) PTGDR2RXRARXRBRXRG
SCHEMBL509065 0.76 RXRA (0.40) HSD17B10POLBKDM4EMAPTRXRA
SCHEMBL19475583 0.74 AGBL2 (0.41) HSD17B10PTGDR2POLBKDM4EMAPT
SCHEMBL510120 0.72 MAPT (0.46) PTGS2PTGDR2POLBKDM4EMAPT
SCHEMBL1561518 0.72 FFAR4 (0.51) HSD17B10PTGDR2CYP2C9
SCHEMBL15728088 0.72 RXRA (0.51) PTGS1HSD17B10POLBKDM4EABL1

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
CN-101861306-B 4-phenyl-5-hydroxy-3(2H)-pyridazinone derivatives herbicides SUMITOMO CHEMICAL CO 2013-02-06 CN 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
CN-101861306-A 4-phenyl-5-hydroxy-3(2H)-pyridazinone derivatives as herbicides SUMITOMO CHEMICAL CO 2010-10-13 CN 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 PTGS2 2562/4885PTGS1 1886/4885HSD17B10 1169/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 PTGS2 2045/4885PTGS1 1595/4885HSD17B10 426/4885

“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.