SCHEMBL2528205

SCHEMBL2528205

CN(CC(O)c1ccc(OC(=O)c2ccc(F)c(F)c2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.39
RPS6KB1 P23443 2/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A4 P31645 2/20 0.35
ELANE P08246 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
KMT2A Q03164 2/20 0.33
AOC3 Q16853 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL2529716 0.92 SLC6A2 (0.36) AURKARPS6KB1SLC6A2SLC6A3SLC6A4
SCHEMBL2528146 0.90 FFAR1 (0.35) AURKARPS6KB1SLC6A2SLC6A3SLC6A4
SCHEMBL2524965 0.90 HDAC8 (0.34) AURKARPS6KB1SLC6A2SLC6A3SLC6A4
SCHEMBL2532097 0.88 AOC3 (0.42) SLC6A2SLC6A3SLC6A4ELANEKMT2A
SCHEMBL2531401 0.87 ESR1 (0.46) CES2CES1SLC6A2SLC6A3SLC6A4
SCHEMBL2525770 0.86 KMT2A (0.43) SLC6A2SLC6A3SLC6A4ELANEKMT2A
SCHEMBL2528524 0.85 F2R (0.40) SLC6A2SLC6A3SLC6A4ELANEKMT2A
SCHEMBL2532556 0.84 ALDH1A1 (0.41) SLC6A2SLC6A3SLC6A4KMT2AALDH1A1
SCHEMBL2531040 0.84 AOC3 (0.34) AURKARPS6KB1ELANEAOC3PDK2
SCHEMBL2529315 0.84 AOC3 (0.35) AURKARPS6KB1ELANEKMT2AAOC3

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 AURKA 2197/4885RPS6KB1 1424/4885CES2 3107/4885

“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.