SCHEMBL2528091

SCHEMBL2528091

CCOc1ccccc1CC(=O)Oc1ccc(C(O)CNCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
ADRB3 P13945 4/20 0.36
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.35
ADRB1 P08588 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRB2 P07550 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 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
SCHEMBL2528609 0.90 L3MBTL1 (0.40) ADRB3TSHRSMN1; SMN2
SCHEMBL2529789 0.88 VNN1 (0.41) ADRB3SMN1; SMN2PPARG
SCHEMBL2531030 0.85 ADRB3 (0.38) ADRB3ALOX15SMN1; SMN2
SCHEMBL2532055 0.85 CA2 (0.40) ALDH1A1ADRB3ALOX15SMN1; SMN2
SCHEMBL2525469 0.85 GPR119 (0.41) ALDH1A1ADRB3ALOX15SMN1; SMN2
SCHEMBL2525521 0.84 PPARG (0.45) ALDH1A1ADRB3ALOX15ADRB1SMN1; SMN2
SCHEMBL2525560 0.84 L3MBTL1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL2528834 0.84 PPARG (0.40) ALDH1A1ADRB3TSHRADRB1ADRB2
SCHEMBL2530285 0.83 ADRB3 (0.37) ALDH1A1ADRB3SMN1; SMN2PPARGPPARA
SCHEMBL2529623 0.83 ADRB3 (0.45) ADRB3ALOX15ADRB1SMN1; SMN2ADRB2

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 ALDH1A1 3248/4885ADRB3 557/4885TSHR 3753/4885

“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.