SCHEMBL2532885

SCHEMBL2532885

CN(CC(O)c1ccc(OC(=O)C2CCC2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BCHE P06276 1/20 0.43
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 3/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 4/20 0.36
AOC3 Q16853 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GPR88 Q9GZN0 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 0.98 KMT2A (0.46) KMT2AHTTSMN1; SMN2TDP1BCHE
SCHEMBL2529172 0.97 BCHE (0.47) KMT2AHTTSMN1; SMN2TDP1BCHE
SCHEMBL2527786 0.95 BCHE (0.42) KMT2AHTTSMN1; SMN2TDP1BCHE
SCHEMBL2525142 0.82 AOC3 (0.40) BCHEELANEPOLBAOC3MAPT
SCHEMBL2525585 0.82 BCHE (0.43) BCHEHPGDMAPTSLC6A4
SCHEMBL2532586 0.81 ELANE (0.55) BCHEELANEAOC3
SCHEMBL2529628 0.80 ELANE (0.42) BCHEATML3MBTL1ELANEAOC3
SCHEMBL2529281 0.80 ESR1 (0.49) KMT2ASMN1; SMN2BCHEELANEAOC3
SCHEMBL2527485 0.79 ELANE (0.43) KMT2ABCHEELANEAOC3MEN1
SCHEMBL2529249 0.78 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 KMT2A 2317/4885HTT 614/4885SMN1; SMN2 1884/4885

“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.