SCHEMBL2532849

SCHEMBL2532849

CN(CC(O)c1ccc(OC(=O)c2cc(C(F)(F)F)ccc2F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.41
NR1H2 P55055 8/20 0.41
NR1H3 Q13133 6/20 0.41
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
SLC6A9 P48067 2/20 0.34
SCN9A Q15858 1/20 0.34
FFAR1 O14842 1/20 0.33
PDK2 Q15119 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
SCHEMBL2529323 0.85 AOC3 (0.34) PDK2
SCHEMBL2527542 0.85 KMT2A (0.46)
SCHEMBL2532601 0.84 AURKA (0.33) PDK2
SCHEMBL2526962 0.83 HIF1A (0.40) CYP11B1CYP11B2
SCHEMBL2524965 0.83 HDAC8 (0.34) RXRANR1H2NR1H3CACNA1GCACNA1B
SCHEMBL2528205 0.82 AURKA (0.39) PDK2
SCHEMBL2531959 0.82 AAK1 (0.37)
SCHEMBL2528474 0.81 KMT2A (0.37)
SCHEMBL2529315 0.81 AOC3 (0.35) PDK2
SCHEMBL2533379 0.81 AOC3 (0.34) PDK2

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 RXRA 2135/4885NR1H2 555/4885NR1H3 640/4885

“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.