SCHEMBL2548906

SCHEMBL2548906

CN(CC(O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
GAA P10253 1/20 0.45
HGFAC Q04756 1/20 0.44
NPC1 O15118 1/20 0.42
ACHE P22303 2/20 0.42
SLC6A4 P31645 2/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2532559 0.91 ALOX5 (0.48) PKMKMT2ANR1H4GAAACHE
SCHEMBL2544070 0.88 MAPT (0.54) PKMKMT2AGAANPC1ADRB2
SCHEMBL2527569 0.86 GAA (0.44) GAANPC1ACHESLC6A4ALDH1A1
SCHEMBL2529638 0.85 KMT2A (0.41) PKMKMT2ASLC6A4MAPTALDH1A1
SCHEMBL2532097 0.85 AOC3 (0.42) PKMKMT2ASLC6A4ADRB2ADRB1
SCHEMBL2525522 0.85 MAPT (0.49) PKMKMT2ASLC6A4MAPTRAB9A
SCHEMBL2531521 0.85 SLC6A2 (0.39) PKMKMT2AGAASLC6A4MAPT
SCHEMBL2525770 0.85 KMT2A (0.43) PKMKMT2ASLC6A4MAPTHTT
SCHEMBL2525241 0.85 KMT2A (0.51) PKMKMT2ASLC6A4MAPTRAB9A
SCHEMBL2529145 0.85 MAPT (0.44) KMT2AGAAMAPTHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 PKM 3604/4885KMT2A 2317/4885NR1H4 545/4885

“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.