SCHEMBL2530285

SCHEMBL2530285

CC(C)(C)OC(=O)CNCC(O)c1ccc(OC(=O)Cc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
POLQ O75417 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 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
SCHEMBL2525469 0.88 GPR119 (0.41) ADRB3LMNATDP1KDM4EALDH1A1
SCHEMBL2529789 0.87 VNN1 (0.41) ADRB3TDP1KDM4EL3MBTL1GAA
SCHEMBL2532055 0.86 CA2 (0.40) ADRB3TDP1KDM4EALDH1A1L3MBTL1
SCHEMBL2531030 0.86 ADRB3 (0.38) ADRB3TDP1KDM4EL3MBTL1GAA
SCHEMBL2528609 0.85 L3MBTL1 (0.40) ADRB3TDP1KDM4EL3MBTL1GAA
SCHEMBL2528091 0.83 ALDH1A1 (0.38) ADRB3ALDH1A1SMN1; SMN2PPARGPPARA
SCHEMBL2529623 0.83 ADRB3 (0.45) ADRB3TDP1KDM4EGAASMN1; SMN2
SCHEMBL2529224 0.83 MEN1 (0.42) MAOBPOLBALDH1A1GAASMN1; SMN2
SCHEMBL2528142 0.82 PPARG (0.40) ADRB3TDP1KDM4EGAASMN1; SMN2
SCHEMBL2531060 0.81 ADRB3 (0.39) ADRB3LMNATDP1KDM4EALDH1A1

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 ADRB3 557/4885MAOB 4580/4885MAOA 4375/4885

“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.