SCHEMBL2531401

SCHEMBL2531401

CN(CC(O)c1ccc(OC(=O)c2cccc(F)c2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL2532556 0.88 ALDH1A1 (0.41) KMT2AALDH1A1PKMGAASLC6A2
SCHEMBL2532097 0.87 AOC3 (0.42) ADRB2ADRB1ADRB3KMT2AALDH1A1
SCHEMBL2525241 0.87 KMT2A (0.51) KMT2AALDH1A1PKMSLC6A2SLC6A4
SCHEMBL2529733 0.87 KMT2A (0.37) KMT2AALDH1A1PKMGAASLC6A2
SCHEMBL2528205 0.87 AURKA (0.39) KMT2AALDH1A1PKMSLC6A2SLC6A4
SCHEMBL2531062 0.86 AURKA (0.38) KMT2AMAPT
SCHEMBL2530374 0.86 SLC7A5 (0.40) KMT2AALDH1A1PKMGAASLC6A2
SCHEMBL2526472 0.85 CYP11B1 (0.39) ESR1ESR2KMT2AALDH1A1PKM
SCHEMBL2529716 0.85 SLC6A2 (0.36) LMNAKMT2AALDH1A1PKMSLC6A2
SCHEMBL2544070 0.84 MAPT (0.54) ADRB2ADRB1ADRB3LMNAKMT2A

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 ESR1 3542/4885ESR2 2607/4885ADRB2 891/4885

“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.