SCHEMBL509825

SCHEMBL509825

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.60
AKR1C2 P52895 10/20 0.60
PTGS1 P23219 3/20 0.60
AKR1C1 Q04828 2/20 0.60
HSD17B10 Q99714 1/20 0.46
BCHE P06276 1/20 0.43
TYR P14679 1/20 0.43
ACHE P22303 1/20 0.43
LDHA P00338 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1C4 P17516 1/20 0.42
PTGS2 P35354 3/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42

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) AKR1C3AKR1C2PTGS1AKR1C1HSD17B10
SCHEMBL11106833 0.83 HSD17B10 (0.47) AKR1C3AKR1C2PTGS1AKR1C1HSD17B10
SCHEMBL508559 0.82 AKR1C3 (0.42) AKR1C3AKR1C2PTGS1AKR1C1AKR1B10
SCHEMBL509676 0.81 HSD17B10 (0.50) AKR1C3AKR1C2PTGS1AKR1C1HSD17B10
SCHEMBL510121 0.80 SRC (0.48) AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL20235177 0.80 HSD17B10 (0.45) AKR1C3AKR1C2PTGS1AKR1C1HSD17B10
SCHEMBL7379672 0.79 AKR1C3 (0.60) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL12804630 0.79 MTNR1A (0.61) AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL20232447 0.76 AKR1C3 (0.42) AKR1C3AKR1C2PTGS1AKR1C1HSD17B10
SCHEMBL25525632 0.76 HTR2A (0.46) HSD17B10CYP1A2

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 534/4885PTGS1 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.