SCHEMBL1661038

SCHEMBL1661038

CC(C)CC=O.CCC(=O)NN

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.40
KDM4E B2RXH2 1/20 0.35
KDM5C P41229 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PSMB5 P28074 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
GRIK1 P39086 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
SCHEMBL1660839 0.88 KDM4E (0.38) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL1661262 0.86 KDM4E (0.52) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL1662970 0.85 CTSD (0.63) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL1661782 0.82 KDM4E (0.43) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL1662968 0.82 ALDH1A1 (0.47) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL1661048 0.82 CTSD (0.48) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL1659989 0.81 ALDH1A1 (0.33) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL1660805 0.81 GRIK1 (0.32) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL1662082 0.81 GRIK1 (0.32) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL1660833 0.81 ALDH1A1 (0.50) CTSDKDM4EKDM5CPHF8KDM2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488021-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS Dow AgroSciences LLC (US) 2012-08-22 EP claimed
WO-2011047025-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2011-04-21 WO claimed
US-20110086761-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2011-04-14 US claimed
EP-2488021-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS Dow AgroSciences LLC (US) 2012-08-22 EP disclosed
WO-2011047025-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2011-04-21 WO disclosed
US-20110086761-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2011-04-14 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 (1 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-20110086761-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS ERG28, DPM1, BROX CTSD 2183/4885KDM4E 1284/4885KDM5C 127/4885

“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.