SCHEMBL397878

SCHEMBL397878

CCOC(=O)CCc1ccc([N+](=O)[O-])c(C(=O)N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
MAPT P10636 6/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP4Z1 Q86W10 1/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL402250 0.93 MAPT (0.46) CYP4F2CYP4A11MAPTKDM4EL3MBTL1
SCHEMBL27972753 0.82 CYP4F2 (0.54) CYP4F2CYP4A11MAPTKDM4EL3MBTL1
SCHEMBL402138 0.80 KMT2A (0.42) MAPTL3MBTL1MITFALDH1A1KMT2A
SCHEMBL400213 0.80 CYP4F2 (0.51) CYP4F2CYP4A11MAPTKDM4EALDH1A1
SCHEMBL402632 0.79 L3MBTL1 (0.44) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4643463 0.79 CYP4F2 (0.52) CYP4F2CYP4A11MAPTKDM4EMITF
SCHEMBL3726231 0.78 PDGFRB (0.45) CYP4F2CYP4A11MAPTL3MBTL1ALDH1A1
SCHEMBL3735227 0.77 KMT2A (0.47) CYP4F2CYP4A11MAPTL3MBTL1ALDH1A1
SCHEMBL2598686 0.76 HPGD (0.46) MAPTKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL2597757 0.76 HPGD (0.46) MAPTKDM4EL3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 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-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA CYP4F2 97/4885CYP4A11 162/4885MAPT 3451/4885

“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.