SCHEMBL509958

SCHEMBL509958

CCc1cc(Cl)cc(CC)c1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.46
AKR1B1 P15121 1/20 0.45
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTGS2 P35354 3/20 0.40
ABCB1 P08183 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
THRB P10828 1/20 0.37
TPMT P51580 1/20 0.37
ABCB11 O95342 1/20 0.36

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
SCHEMBL509488 0.90 PTGDR2 (0.46) PTGDR2AKR1B1ALDH1A1HPGDHSD17B10
SCHEMBL13527353 0.89 PTGDR2 (0.42) PTGDR2AKR1B1ALDH1A1HPGDHSD17B10
SCHEMBL510312 0.84 KDM4E (0.46) PTGDR2AKR1B1ALDH1A1HPGDHSD17B10
SCHEMBL509931 0.83 ALDH1A1 (0.36) PTGDR2ALDH1A1HPGDHSD17B10PTGS2
SCHEMBL12658249 0.83 PTGS2 (0.45) PTGDR2HSD17B10KDM4EPTGS2THRB
SCHEMBL509463 0.82 PTGDR2 (0.43) PTGDR2AKR1B1KDM4EPTGS2ABCB1
SCHEMBL509065 0.81 RXRA (0.40) AKR1B1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL510120 0.81 MAPT (0.46) PTGDR2AKR1B1ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL20740117 0.79 MAPT (0.45) PTGDR2AKR1B1ALDH1A1HPGDKDM4E
SCHEMBL509872 0.79 THRB (0.41) PTGDR2AKR1B1ALDH1A1HPGDHSD17B10

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 PTGDR2 880/4885AKR1B1 521/4885ALDH1A1 1534/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 PTGDR2 1348/4885AKR1B1 114/4885ALDH1A1 273/4885

“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.