SCHEMBL2525540

SCHEMBL2525540

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
THRB P10828 1/20 0.38
KMT2A Q03164 4/20 0.37
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
ADRB3 P13945 3/20 0.34
ESR1 P03372 1/20 0.34
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AOC3 Q16853 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL2530531 0.94 PPARG (0.39) PPARGPPARATHRBKMT2AADRB3
SCHEMBL2527112 0.90 KDM4E (0.40) PPARGPPARAHIF1ASMN1; SMN2
SCHEMBL2523415 0.90 PPARG (0.39) PPARGPPARAKMT2AACACBHIF1A
SCHEMBL2525523 0.90 PPARG (0.43) PPARGPPARAKMT2AACACBESR1
SCHEMBL2528951 0.89 L3MBTL1 (0.42) PPARGPPARAKMT2AL3MBTL1AOC3
SCHEMBL2527448 0.89 KMT2A (0.41) PPARGPPARAKMT2AL3MBTL1AOC3
SCHEMBL2527548 0.89 KMT2A (0.46) PPARGPPARAKMT2AL3MBTL1AOC3
SCHEMBL2529210 0.88 KMT2A (0.40) PPARGPPARAKMT2AL3MBTL1AOC3
SCHEMBL2526376 0.88 KMT2A (0.46) PPARGPPARAKMT2AL3MBTL1AOC3
SCHEMBL2530995 0.88 PPARG (0.39) PPARGPPARAKMT2AL3MBTL1AOC3

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 PPARG 1096/4885PPARA 381/4885THRB 4386/4885

“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.