SCHEMBL2527786

SCHEMBL2527786

CN(CC(O)c1ccc(OC(=O)C2CC2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ELANE P08246 3/20 0.39
ATM Q13315 1/20 0.37
AOC3 Q16853 1/20 0.36
F2 P00734 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
LSS P48449 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL2529205 0.95 KMT2A (0.46) BCHEKMT2AHTTSMN1; SMN2TDP1
SCHEMBL2532885 0.95 KMT2A (0.49) BCHEKMT2AHTTSMN1; SMN2TDP1
SCHEMBL2529172 0.94 BCHE (0.47) BCHEKMT2AHTTSMN1; SMN2TDP1
SCHEMBL2529281 0.84 ESR1 (0.49) BCHEKMT2ASMN1; SMN2ELANEAOC3
SCHEMBL2525142 0.84 AOC3 (0.40) BCHEELANEAOC3POLBGPR88
SCHEMBL2532586 0.83 ELANE (0.55) BCHEELANEAOC3
SCHEMBL2529628 0.82 ELANE (0.42) BCHEELANEATMAOC3GPR88
SCHEMBL2525585 0.81 BCHE (0.43) BCHEHPGDSLC6A4
SCHEMBL2527485 0.81 ELANE (0.43) BCHEKMT2AELANEAOC3GPR88
SCHEMBL2529249 0.80 AOC3 (0.37) BCHEELANEAOC3GPR88

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 BCHE 962/4885KMT2A 2317/4885HTT 614/4885

“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.