SCHEMBL508559

SCHEMBL508559

CCc1cc(OC(F)(F)F)ccc1C(CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.42
AKR1C2 P52895 5/20 0.42
PTGS1 P23219 4/20 0.42
AKR1C1 Q04828 2/20 0.42
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
EPHX2 P34913 1/20 0.40
PTGS2 P35354 3/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1C4 P17516 1/20 0.39
PDE2A O00408 1/20 0.39
PPARD Q03181 2/20 0.39
HRH3 Q9Y5N1 4/20 0.39
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
PIM1 P11309 1/20 0.38
CETP P11597 1/20 0.38

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
SCHEMBL509825 0.82 AKR1C3 (0.60) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL509210 0.78 PDE2A (0.48) AKR1C3AKR1C2AKR1C1PPARAPPARG
SCHEMBL27887474 0.78 AKR1C3 (0.54) AKR1C3AKR1C2PTGS1AKR1C1PPARA
SCHEMBL16028565 0.76 AKR1C3 (0.51) AKR1C3AKR1C2PTGS1AKR1C1AKR1B10
SCHEMBL510121 0.76 SRC (0.48) AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL2860050 0.73 PPARG (0.44) AKR1C3AKR1C2PTGS1AKR1C1PPARA
SCHEMBL178386 0.72 NR1H2 (0.50) PTGS1PTGS2
SCHEMBL15108832 0.72 IGF2BP2 (0.47) AKR1C2PTGS1AKR1C1PTGS2AURKA
SCHEMBL24709125 0.71 RXRA (0.41) PTGS1EPHX2PTGS2PIM1
SCHEMBL16959631 0.71 FFAR4 (0.44) PTGS1EPHX2PTGS2PIM1

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 5 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

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 AKR1C3 107/4885AKR1C2 534/4885PTGS1 1886/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 AKR1C3 103/4885AKR1C2 149/4885PTGS1 1595/4885

“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.