SCHEMBL2528484

SCHEMBL2528484

COc1cc(OC)cc(C(=O)Oc2ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.42
LMNA P02545 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 2/20 0.34
GAA P10253 2/20 0.34
BCHE P06276 1/20 0.34
ADRB2 P07550 1/20 0.34
ACHE P22303 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL2525241 0.85 KMT2A (0.51) CYP2C19CYP1A2SMN1; SMN2ALDH1A1PKM
SCHEMBL2529264 0.85 AOC3 (0.41) AOC3LMNACYP2C19KMT2ACYP2D6
SCHEMBL2530517 0.84 KMT2A (0.49) AOC3LMNACYP2C19CYP1A2SMN1; SMN2
SCHEMBL2532097 0.83 AOC3 (0.42) AOC3CYP2C9ALDH1A1PKMKMT2A
SCHEMBL2525522 0.83 MAPT (0.49) LMNASMN1; SMN2ALDH1A1PKMKMT2A
SCHEMBL2531521 0.83 SLC6A2 (0.39) AOC3ALDH1A1PKMKMT2AGAA
SCHEMBL2525770 0.83 KMT2A (0.43) AOC3LMNASMN1; SMN2ALDH1A1PKM
SCHEMBL2529638 0.83 KMT2A (0.41) AOC3ALDH1A1PKMKMT2ABCHE
SCHEMBL2532559 0.83 ALOX5 (0.48) PKMKMT2AGAAACHEMAPT
SCHEMBL2528524 0.83 F2R (0.40) AOC3ALDH1A1PKMKMT2AMAPT

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 2105/4885LMNA 2981/4885CYP2C19 3835/4885

“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.