SCHEMBL509088

SCHEMBL509088

CCc1cc(-c2ccc(C)cc2)ccc1C(CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
MCL1 Q07820 1/20 0.41
SRC P12931 1/20 0.40
HSD17B1 P14061 2/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGS2 P35354 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C1 Q04828 1/20 0.36
FFAR1 O14842 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
SCHEMBL509518 0.89 PTGS2 (0.44) AKR1C3AKR1C2HSD17B1ALDH1A1PTGS2
SCHEMBL510121 0.89 SRC (0.48) AKR1C3AKR1C2SRCALDH1A1MEN1
SCHEMBL27795275 0.84 PTGS2 (0.41) AKR1C3AKR1C2HSD17B1PTGS2
SCHEMBL466416 0.76 SRC (0.39) AKR1C3AKR1C2SRCALDH1A1MEN1
SCHEMBL510474 0.76 SRC (0.44) AKR1C3AKR1C2SRCALDH1A1MEN1
SCHEMBL2167808 0.75 CYP1A2 (0.41) SRCALDH1A1MEN1KMT2A
SCHEMBL509825 0.74 AKR1C3 (0.60) AKR1C3AKR1C2PTGS2AKR1B10AKR1C4
SCHEMBL3081525 0.74 TAS1R3 (0.42) AKR1C3AKR1C2SRCALDH1A1AKR1C1
SCHEMBL4948052 0.74 ACMSD (0.47) AKR1C3AKR1C2MCL1PTGS2FFAR1
SCHEMBL19200334 0.73 AKR1C3 (0.50) AKR1C3AKR1C2SRCALDH1A1AKR1B10

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 9 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
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 AKR1C3 107/4885AKR1C2 534/4885MCL1 1935/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 AKR1C3 103/4885AKR1C2 149/4885MCL1 3481/4885

“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.