SCHEMBL2529693

SCHEMBL2529693

CN(CC(O)c1ccc(OC(=O)C(Cl)c2ccc(Cl)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
PPARA Q07869 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
ELANE P08246 2/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCB11 O95342 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
BCHE P06276 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL2531036 0.91 MEN1 (0.40) AOC3MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4352299 0.87 AOC3 (0.53) AOC3MEN1KMT2ACYP1A2CYP3A4
SCHEMBL2525770 0.86 KMT2A (0.43) AOC3MEN1KMT2AMAPTELANE
SCHEMBL2529159 0.85 AOC3 (0.37) AOC3MEN1KMT2ACYP2D6SMN1; SMN2
SCHEMBL2529628 0.84 ELANE (0.42) AOC3CYP2D6CYP2C19ELANELMNA
SCHEMBL2526417 0.84 KMT2A (0.46) AOC3MEN1KMT2APPARAMAPT
SCHEMBL2525142 0.81 AOC3 (0.40) AOC3CYP3A4CYP2D6MAPTCYP2C19
SCHEMBL2527485 0.81 ELANE (0.43) AOC3MEN1KMT2ACYP2D6CYP2C19
SCHEMBL2532586 0.80 ELANE (0.55) AOC3CYP3A4ELANELMNABCHE
SCHEMBL2531945 0.80 NR1H4 (0.47) AOC3MEN1KMT2ACYP1A2MAPT

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 AOC3 2105/4885MEN1 1126/4885KMT2A 2317/4885

“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.