SCHEMBL509676

SCHEMBL509676

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
AKR1C3 P42330 7/20 0.46
AKR1C2 P52895 7/20 0.46
PTGS1 P23219 4/20 0.46
AKR1C1 Q04828 1/20 0.46
LDHA P00338 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
POLB P06746 1/20 0.41

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
SCHEMBL11106833 0.83 HSD17B10 (0.47) HSD17B10AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL509825 0.81 AKR1C3 (0.60) HSD17B10AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL20235177 0.80 HSD17B10 (0.45) HSD17B10AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL509062 0.79 SRC (0.47) PTGS1PTGS2POLB
SCHEMBL509489 0.79 FLT1 (0.39) TSHRPOLB
SCHEMBL25525632 0.76 HTR2A (0.46) HSD17B10CYP1A2
SCHEMBL508985 0.75 PTGS2 (0.44) PTGS1PTGS2CYP1A2TSHR
SCHEMBL11625394 0.74 HSD17B10 (0.45) HSD17B10AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL11625401 0.74 HSD17B10 (0.45) HSD17B10AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL20232447 0.74 AKR1C3 (0.42) HSD17B10AKR1C3AKR1C2PTGS1AKR1C1

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 10 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
CN-102421759-A Pyridazinone compounds and use thereof SUMITOMO CHEMICAL CO 2012-04-18 CN 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 HSD17B10 1169/4885AKR1C3 107/4885AKR1C2 534/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 HSD17B10 426/4885AKR1C3 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.