SCHEMBL509872

SCHEMBL509872

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
THRA P10827 4/20 0.38
AKR1B1 P15121 2/20 0.37
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
KDR P35968 1/20 0.36
PRNP P04156 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL5929442 0.90 THRB (0.41) THRBPTGDR2THRAAKR1B1AURKA
SCHEMBL1357312 0.89 AURKA (0.37) THRBPTGDR2THRAAURKAAURKB
SCHEMBL20562669 0.87 AKR1B1 (0.43) THRBPTGDR2THRAAKR1B1
SCHEMBL509065 0.81 RXRA (0.40) THRBTHRAAKR1B1HIF1APOLB
SCHEMBL510120 0.81 MAPT (0.46) PTGDR2AKR1B1CYP1A2CYP2C19NPSR1
Hydrochloric Acid SCHEMBL20740117 0.79 MAPT (0.45) PTGDR2AKR1B1CYP1A2CYP2C19NPSR1
SCHEMBL509958 0.79 PTGDR2 (0.46) THRBPTGDR2AKR1B1KDM4EALDH1A1
SCHEMBL19475583 0.79 AGBL2 (0.41) PTGDR2AKR1B1HIF1APOLBKDM4E
SCHEMBL1475954 0.79 HSP90AB1 (0.43) CYP1A2NPSR1RXFP1KDM4EMAPT
SCHEMBL509482 0.77 MAPT (0.41) THRBPTGDR2THRAAURKAAURKB

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 5 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

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 THRB 1681/4885PTGDR2 880/4885THRA 1831/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 THRB 1912/4885PTGDR2 1348/4885THRA 1697/4885

“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.