SCHEMBL1662977

SCHEMBL1662977

CC(C)CC=O.CC(C)CC=O.NNC(=O)c1ccc(C(=O)NN)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.55
MPO P05164 2/20 0.52
CYP3A4 P08684 2/20 0.52
KDM5A P29375 1/20 0.52
BLM P54132 1/20 0.52
GFER P55789 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
MAPT P10636 6/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
CA9 Q16790 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL1659983 0.86 GAA (0.54) OGG1ALDH1A1KDM4ELMNAAOC2
SCHEMBL1662082 0.78 GRIK1 (0.32) KDM4ECYP2C19CYP2D6
SCHEMBL1659989 0.78 ALDH1A1 (0.33) ALDH1A1KDM4ECYP2C19CYP2D6
SCHEMBL1660805 0.78 GRIK1 (0.32) KDM4ECYP2C19CYP2D6
SCHEMBL2678949 0.77 MPO (0.80) OGG1MPOCYP3A4KDM5ABLM
SCHEMBL343630 0.77 MPO (0.80) OGG1MPOCYP3A4KDM5ABLM
SCHEMBL1660839 0.76 KDM4E (0.38) ALDH1A1KDM4ELMNA
SCHEMBL3456546 0.76 BLM (0.53) OGG1MPOCYP3A4KDM5ABLM
SCHEMBL28188923 0.75 MPO (0.76) OGG1MPOCYP3A4KDM5ABLM
SCHEMBL624339 0.75 KDM4E (0.61) OGG1MPOCYP3A4KDM5ABLM

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 4 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
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 OGG1 1182/4885MPO 121/4885CYP3A4 527/4885

“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.