SCHEMBL1065828

SCHEMBL1065828

CC(C)(C)OC(=O)NCCOCCOC(=O)NCCOCCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.48
BCHE P06276 2/20 0.44
CNR2 P34972 2/20 0.44
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
HTR2A P28223 1/20 0.43
FAAH O00519 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 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
SCHEMBL1065825 1.00 MGLL (0.48) MGLLBCHECNR2CA12CA1
SCHEMBL29342666 0.98 MGLL (0.50) MGLLBCHECNR2CA12CA1
SCHEMBL32670270 0.98 MGLL (0.50) MGLLBCHECNR2CA12CA1
SCHEMBL1065263 0.98 MGLL (0.50) MGLLBCHECNR2CA12CA1
SCHEMBL12529864 0.91 MGLL (0.54) MGLLCA12CA1CA2CA9
SCHEMBL30685129 0.89 MGLL (0.60) MGLLBCHECNR2CA12CA1
SCHEMBL21069827 0.89 MGLL (0.60) MGLLBCHECNR2CA12CA1
SCHEMBL3362427 0.88 MGLL (0.44) MGLLBCHECNR2CA12CA1
SCHEMBL27356591 0.88 MGLL (0.62) MGLLBCHECNR2CA12CA1
SCHEMBL16107573 0.87 MGLL (0.58) MGLLCA12CA1CA2CA9

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
US-8450469-B2 Synthesis of peptide nucleic acids conjugated with amino acids and their application PANAGENE INC. (KR) 2013-05-28 US disclosed
US-20110014715-A1 Synthesis of Peptide Nucleic Acids Conjugated with Amino Acids and Their Application PANAGENE INC. (KR) 2011-01-20 US disclosed
WO-2009093821-A9 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS CONJUGATED WITH AMINO ACIDS AND THEIR APPLICATION 주식회사 파나진 (KR) 2010-05-27 WO disclosed
WO-2009093821-A2 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS CONJUGATED WITH AMINO ACIDS AND THEIR APPLICATION PANAGENE INC. (KR) 2009-07-30 WO 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-20110014715-A1 Synthesis of Peptide Nucleic Acids Conjugated with Amino Acids and Their Application CPSF6, RNGTT, DNPEP MGLL 1954/4885BCHE 3384/4885CNR2 4845/4885

“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.