SCHEMBL402250

SCHEMBL402250

CCOC(=O)CCCc1ccc([N+](=O)[O-])c(C(=O)N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALOX5 P09917 1/20 0.42
CYP4Z1 Q86W10 2/20 0.41
CYP4F11 Q9HBI6 1/20 0.41
CYP4F12 Q9HCS2 1/20 0.41
TNF P01375 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MAPK1 P28482 3/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL397878 0.93 CYP4F2 (0.47) MAPTKDM4EALDH1A1TDP1CYP4Z1
SCHEMBL402138 0.87 KMT2A (0.42) MAPTALDH1A1TDP1ALOX5L3MBTL1
SCHEMBL402632 0.84 L3MBTL1 (0.44) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL27593722 0.83 MAPT (0.51) MAPTKDM4EALDH1A1TDP1ALOX5
SCHEMBL6984451 0.78 ALDH1A1 (0.55) MAPTKDM4EALDH1A1TDP1TNF
SCHEMBL3726231 0.76 PDGFRB (0.45) MAPTALDH1A1L3MBTL1CYP4F2CYP4A11
SCHEMBL1470350 0.75 ALDH1A1 (0.51) MAPTKDM4EALDH1A1CYP4Z1CYP4F11
SCHEMBL27972753 0.75 CYP4F2 (0.54) MAPTKDM4EALDH1A1TDP1CYP4Z1
SCHEMBL7188600 0.75 MAPT (0.55) MAPTKDM4EALDH1A1TDP1ALOX5
SCHEMBL3735227 0.75 KMT2A (0.47) MAPTALDH1A1L3MBTL1CYP4F2CYP4A11

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 MAPT 3451/4885KDM4E 2908/4885ALDH1A1 421/4885

“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.