SCHEMBL2529928

SCHEMBL2529928

Cc1cc(C)c(CC(=O)Oc2ccc(C(O)CNCC(=O)OC(C)(C)C)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ADRB3 P13945 3/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
ADRB2 P07550 1/20 0.33
BCHE P06276 1/20 0.32

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
SCHEMBL2528243 0.89 L3MBTL1 (0.38) L3MBTL1ADRB3ALDH1A1MAPTLMNA
SCHEMBL2529782 0.87 L3MBTL1 (0.35) L3MBTL1ADRB3ALDH1A1MAPTLMNA
SCHEMBL2528949 0.85 L3MBTL1 (0.42) L3MBTL1ADRB3ALDH1A1MAPTPPARG
SCHEMBL2531906 0.84 ADRB3 (0.38) L3MBTL1ADRB3MAPTPPARGPPARA
SCHEMBL2526478 0.84 PPARG (0.38) L3MBTL1ADRB3PPARGPPARA
SCHEMBL2529154 0.83 MAPK1 (0.40) ADRB3ALDH1A1MAPTLMNACYP3A4
SCHEMBL2529623 0.82 ADRB3 (0.45) ADRB3PPARGPPARAHPGDADRB2
SCHEMBL2529261 0.81 TDP1 (0.40) L3MBTL1ADRB3ALDH1A1MAPTLMNA
SCHEMBL2527546 0.81 TDP1 (0.47) L3MBTL1ADRB3ALDH1A1MAPTPPARG
SCHEMBL2527446 0.81 PPARG (0.42) ADRB3PPARGPPARA

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 L3MBTL1 4486/4885ADRB3 557/4885ALDH1A1 3248/4885

“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.