SCHEMBL1662082

SCHEMBL1662082

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
CTSD P07339 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KDM5C P41229 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL1660805 0.86 GRIK1 (0.32) GRIK1ADH1BADH1CADH1ACYP2D6
SCHEMBL1659989 0.86 ALDH1A1 (0.33) GRIK1ADH1BADH1CADH1ACYP2D6
SCHEMBL1660839 0.84 KDM4E (0.38) GRIK1ADH1BADH1CADH1ACTSD
SCHEMBL1661262 0.83 KDM4E (0.52) GRIK1CYP2D6CYP2C19CTSDKDM4E
SCHEMBL1661038 0.81 CTSD (0.40) GRIK1CTSDKDM4EKDM5CPHF8
SCHEMBL1662968 0.79 ALDH1A1 (0.47) CYP2C19CTSDKDM4EKDM5CPHF8
SCHEMBL1661782 0.79 KDM4E (0.43) CYP2C19CTSDKDM4EKDM5CPHF8
SCHEMBL1660833 0.78 ALDH1A1 (0.50) CYP2C19CTSDKDM4EKDM5CPHF8
SCHEMBL1662977 0.78 OGG1 (0.55) CYP2D6CYP2C19KDM4E
SCHEMBL1662970 0.78 CTSD (0.63) CYP2C19CTSDKDM4EKDM5CPHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086761-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2011-04-14 US claimed
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 GRIK1 2583/4885ADH1B 3764/4885ADH1C 2126/4885

“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.