SCHEMBL509518

SCHEMBL509518

CCc1cc(-c2ccccc2)ccc1C(CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
DCLRE1A Q6PJP8 1/20 0.43
DCLRE1B Q9H816 1/20 0.43
BCL2 P10415 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
FFAR1 O14842 1/20 0.40
HSD17B1 P14061 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
HPGD P15428 2/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CYP1A2 P05177 2/20 0.38
GAA P10253 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
SCHEMBL509088 0.89 AKR1C3 (0.41) PTGS2AKR1C3AKR1C2FFAR1HSD17B1
SCHEMBL27795275 0.85 PTGS2 (0.41) PTGS2AKR1C3AKR1C2BCL2SMN1; SMN2
SCHEMBL4948052 0.84 ACMSD (0.47) PTGS2AKR1C3AKR1C2SMN1; SMN2L3MBTL1
SCHEMBL508985 0.81 PTGS2 (0.44) PTGS2DCLRE1ADCLRE1BBCL2SMN1; SMN2
SCHEMBL508994 0.81 PPARG (0.44) AKR1C3AKR1C2MAPTALDH1A1PPARG
SCHEMBL510121 0.80 SRC (0.48) AKR1C3AKR1C2ALDH1A1
SCHEMBL4062734 0.80 LMNA (0.41) AKR1C3AKR1C2CYP1A2CYP2C19ALDH1A1
SCHEMBL509613 0.80 FFAR1 (0.40) PTGS2AKR1C3AKR1C2BCL2SMN1; SMN2
SCHEMBL6472538 0.77 AKR1C3 (0.49) AKR1C3AKR1C2RXRARXRB
Xenbucin SCHEMBL24134 0.76 PTGS2 (0.58) PTGS2AKR1C3AKR1C2SMN1; SMN2L3MBTL1

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 PTGS2 2562/4885AKR1C3 107/4885AKR1C2 534/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 PTGS2 2045/4885AKR1C3 103/4885AKR1C2 149/4885

“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.