SCHEMBL2525539

SCHEMBL2525539

CCCc1ccc(CC(=O)Oc2ccc(C(O)CNCC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 2/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36

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
SCHEMBL2530529 0.94 ADRB3 (0.41) ADRB3PPARGPPARAKDM4EGAA
SCHEMBL2527110 0.90 ALOX15 (0.45) PPARGPPARAKDM4ESMN1; SMN2ALOX15
SCHEMBL2523411 0.90 ALOX15 (0.45) ADRB3PPARGPPARAKDM4ESMN1; SMN2
SCHEMBL2525521 0.90 PPARG (0.45) ADRB3PPARGPPARAKDM4EGAA
SCHEMBL2527446 0.89 PPARG (0.42) ADRB3PPARGPPARAKDM4EGAA
SCHEMBL2528949 0.89 L3MBTL1 (0.42) ADRB3PPARGPPARAKDM4EGAA
SCHEMBL2527546 0.89 TDP1 (0.47) ADRB3PPARGPPARAKDM4EGAA
SCHEMBL2530994 0.88 PPARG (0.41) ADRB3PPARGPPARAKDM4EGAA
SCHEMBL2526373 0.88 KMT2A (0.49) ADRB3PPARGPPARAKDM4EGAA
SCHEMBL2526415 0.88 KMT2A (0.49) ADRB3PPARGPPARAALOX15KMT2A

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 557/4885PPARG 1096/4885PPARA 381/4885

“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.