SCHEMBL2544070

SCHEMBL2544070

CN(CC(O)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
GAA P10253 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX5 P09917 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.39

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) MAPTGAATDP1AURKARPS6KB1
SCHEMBL2548906 0.88 PKM (0.48) MAPTGAAADRB2ADRB1ADRB3
SCHEMBL2530863 0.85 AURKA (0.43) MAPTGAATDP1AURKARPS6KB1
SCHEMBL2532556 0.84 ALDH1A1 (0.41) MAPTGAAMEN1HPGDKMT2A
SCHEMBL2531401 0.84 ESR1 (0.46) MAPTGAATDP1ADRB2ADRB1
SCHEMBL2525241 0.84 KMT2A (0.51) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL2529733 0.83 KMT2A (0.37) MAPTGAATDP1AURKARPS6KB1
SCHEMBL2529145 0.83 MAPT (0.44) MAPTGAATDP1L3MBTL1HPGD
SCHEMBL2530374 0.83 SLC7A5 (0.40) MAPTGAATDP1L3MBTL1KMT2A
SCHEMBL2526472 0.82 CYP11B1 (0.39) KMT2AALDH1A1PKM

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 MAPT 2834/4885GAA 4431/4885TDP1 3871/4885

“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.