SCHEMBL23868544

SCHEMBL23868544

COCC(C)(C)CNC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.57
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
FAAH O00519 2/20 0.46
GAA P10253 4/20 0.46
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 5/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL21449896 0.85 MGLL (0.53) MGLLBCL9CTNNB1FAAHGAA
SCHEMBL27838824 0.84 MGLL (0.60) MGLLBCL9CTNNB1FAAHGAA
SCHEMBL4882211 0.83 MGLL (0.59) MGLLBCL9CTNNB1FAAHGAA
SCHEMBL21449847 0.83 MGLL (0.53) MGLLBCL9CTNNB1FAAHGAA
SCHEMBL22840 0.81 MGLL (0.48) MGLLBCL9CTNNB1FAAHGAA
SCHEMBL11919307 0.80 MGLL (0.64) MGLLBCL9CTNNB1FAAHGAA
SCHEMBL3065302 0.80 MGLL (0.60) MGLLBCL9CTNNB1FAAHGAA
SCHEMBL17661807 0.79 MGLL (0.71) MGLLBCL9CTNNB1FAAHGAA
4-Nitrophenyl Ethylcarbamate SCHEMBL1695035 0.78 MGLL (0.74) MGLLBCL9CTNNB1FAAHGAA
SCHEMBL18703462 0.77 MGLL (0.78) MGLLBCL9CTNNB1FAAHGAA

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-20210299210-A2 HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES BICYCLETX LIMITED (GB) 2021-09-30 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-20210299210-A2 HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES TIMCC, TAP1, CD81 MGLL 4048/4885BCL9 173/4885CTNNB1 4000/4885

“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.