SCHEMBL1661262

SCHEMBL1661262

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
KDM5C P41229 2/20 0.52
PHF8 Q9UPP1 2/20 0.52
KDM2A Q9Y2K7 2/20 0.52
CTSD P07339 1/20 0.46
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
GAA P10253 2/20 0.32
GRIK1 P39086 1/20 0.31
CYP2D6 P10635 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
LMNA P02545 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
SCHEMBL1662968 0.92 ALDH1A1 (0.47) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL1661782 0.92 KDM4E (0.43) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL1662970 0.90 CTSD (0.63) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL1660833 0.90 ALDH1A1 (0.50) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL1660553 0.90 ALDH1A1 (0.50) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL1660839 0.89 KDM4E (0.38) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL1661048 0.87 CTSD (0.48) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL1661038 0.86 CTSD (0.40) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL1661786 0.86 FAAH (0.47) CTSDALDH1A1CYP1A2CYP3A4CYP2C19
Tetradecanehydrazide SCHEMBL1661791 0.84 FAAH (0.50) CTSDALDH1A1CYP1A2CYP3A4CYP2C19

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 KDM4E 1284/4885KDM5C 127/4885PHF8 444/4885

“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.