SCHEMBL510198

SCHEMBL510198

CCC(C(=O)O)c1ccc(C)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
AKR1C1 Q04828 1/20 0.46
PTGS1 P23219 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
SRC P12931 1/20 0.43
ACHE P22303 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPBWR1 P48145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCHR1 Q99705 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LPAR1 Q92633 2/20 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
SCHEMBL31688947 0.84 AKR1C3 (0.60) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL25242321 0.84 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1PTGS1ACHE
SCHEMBL510313 0.83 ALDH1A1 (0.51) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL27433263 0.81 SRC (0.45) L3MBTL1SRCACHEKDM4EALDH1A1
SCHEMBL28564626 0.81 ALDH1A1 (0.50) AKR1C3AKR1C2AKR1C1PTGS1KDM4E
SCHEMBL508994 0.81 PPARG (0.44) AKR1C3AKR1C2AKR1C1PTGS1RECQL
SCHEMBL29889833 0.80 POLB (0.53) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL28041376 0.80 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1PTGS1GAA
SCHEMBL1999919 0.80 POLB (0.53) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL510474 0.80 SRC (0.44) AKR1C3AKR1C2AKR1C1PTGS1SRC

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 AKR1C3 107/4885AKR1C2 534/4885AKR1C1 342/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 AKR1C3 103/4885AKR1C2 149/4885AKR1C1 87/4885

“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.