SCHEMBL510322

SCHEMBL510322

COC(C(=O)O)c1ccc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
GRM1 Q13255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PPARA Q07869 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CACNA1G O43497 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 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
SCHEMBL1154262 0.83 TSHR (0.50) GRM1KMT2ATDP1MEN1CYP1A2
SCHEMBL6829514 0.81 SRC (0.38) SRCGRM1KMT2ATDP1MEN1
SCHEMBL5041933 0.79 ALDH1A1 (0.38) SRCKEAP1NFE2L2PPARAPKM
SCHEMBL9445845 0.78 LMNA (0.45) KEAP1NFE2L2PPARAPKML3MBTL1
SCHEMBL9445842 0.78 LMNA (0.45) KEAP1NFE2L2PPARAPKML3MBTL1
SCHEMBL9445841 0.78 LMNA (0.45) KEAP1NFE2L2PPARAPKML3MBTL1
SCHEMBL7864024 0.77 MEN1 (0.44) SRCGRM1KMT2ATDP1MEN1
SCHEMBL8960497 0.76 TRPA1 (0.44) SRCGRM1KMT2ATDP1MEN1
SCHEMBL8960143 0.76 TRPA1 (0.44) SRCGRM1KMT2ATDP1MEN1
SCHEMBL510476 0.74 MEN1 (0.42) SRCGRM1KMT2ATDP1MEN1

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 SRC 4045/4885GRM1 1320/4885KMT2A 4005/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 SRC 4180/4885GRM1 69/4885KMT2A 1764/4885

“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.