SCHEMBL16367368

SCHEMBL16367368

CCC(Cn1cccc1[N+](=O)[O-])OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.43
POLB P06746 3/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 3/20 0.33
PTGS2 P35354 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ELANE P08246 1/20 0.31
MAPK1 P28482 1/20 0.30
MMP12 P39900 1/20 0.30
MEN1 O00255 1/20 0.30
PTGS1 P23219 1/20 0.30
CYP19A1 P11511 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
SCHEMBL16367412 0.86 ALDH1A1 (0.34) SLC18A3ALDH1A1LMNAPTGS2ELANE
SCHEMBL16367319 0.83 POLB (0.36) POLBMAPTTHRBKMT2APTGS2
SCHEMBL16367365 0.79 MMP2 (0.36) POLBMAPTTHRBALDH1A1LMNA
SCHEMBL16367310 0.78 POLB (0.37) SLC18A3POLBMAPTTHRBALDH1A1
SCHEMBL16367391 0.77 KMT2A (0.38) SLC18A3ALDH1A1KMT2AKDM4EELANE
SCHEMBL16367379 0.76 MAPK1 (0.35) ALDH1A1KMT2AKDM4EELANEMAPK1
SCHEMBL15607848 0.75 PTGS2 (0.31) PTGS2
SCHEMBL16367357 0.72 MAPK1 (0.60) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL15607856 0.71 MAPK1 (0.34) ALDH1A1KMT2AKDM4EELANEMAPK1
SCHEMBL16367348 0.71 DHODH (0.34) MAPTALDH1A1LMNAKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB SLC18A3 2208/4885POLB 1684/4885MAPT 3982/4885

“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.