SCHEMBL509433

SCHEMBL509433

C#Cc1cc(CC)c(CC(=O)O)c(CC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.37
FFAR1 O14842 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PPARG P37231 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 4/20 0.32
HPGD P15428 3/20 0.32
EGFR P00533 1/20 0.31
THRB P10828 1/20 0.31
SRC P12931 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL509455 0.81 RXRA (0.39) PTGDR2EGLN1
SCHEMBL20279403 0.80 EGLN1 (0.35) AKR1B1FFAR1PTGDR2EGLN1KDM4E
SCHEMBL509065 0.76 RXRA (0.40) AKR1B1KDM4EALDH1A1MAPTPOLB
SCHEMBL510120 0.76 MAPT (0.46) AKR1B1PTGDR2KDM4EALDH1A1MAPT
SCHEMBL509536 0.76 MAPT (0.38) AKR1B1PTGDR2PPARGKDM4EALDH1A1
Hydrochloric Acid SCHEMBL20740117 0.75 MAPT (0.45) AKR1B1PTGDR2KDM4EALDH1A1MAPT
SCHEMBL509958 0.75 PTGDR2 (0.46) AKR1B1PTGDR2KDM4EALDH1A1HSD17B10
SCHEMBL509872 0.75 THRB (0.41) AKR1B1PTGDR2PPARGKDM4EALDH1A1
SCHEMBL19475583 0.75 AGBL2 (0.41) AKR1B1PTGDR2KDM4EALDH1A1MAPT
SCHEMBL27907584 0.73 AKR1B1 (0.31) AKR1B1

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 AKR1B1 521/4885FFAR1 1578/4885PTGDR2 880/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 AKR1B1 114/4885FFAR1 863/4885PTGDR2 1348/4885

“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.