SCHEMBL2524965

SCHEMBL2524965

CN(CC(O)c1ccc(OC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.34
KCNN4 O15554 2/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
PDK2 Q15119 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
ELANE P08246 1/20 0.32
RXRA P19793 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 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
SCHEMBL2528146 0.92 FFAR1 (0.35) CACNA1GCACNA1BCACNA1CAURKARPS6KB1
SCHEMBL2528205 0.90 AURKA (0.39) AURKARPS6KB1SLC6A2SLC6A4SLC6A3
SCHEMBL2529716 0.86 SLC6A2 (0.36) AURKARPS6KB1SLC6A2SLC6A4SLC6A3
SCHEMBL2532097 0.85 AOC3 (0.42) SLC6A2SLC6A4SLC6A3ELANE
SCHEMBL2531401 0.83 ESR1 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL2532849 0.83 RXRA (0.41) CACNA1GCACNA1BCACNA1CPDK2RXRA
SCHEMBL2525770 0.83 KMT2A (0.43) SLC6A2SLC6A4SLC6A3ELANE
SCHEMBL2528524 0.82 F2R (0.40) SLC6A2SLC6A4SLC6A3ELANE
SCHEMBL2532556 0.81 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL2531040 0.81 AOC3 (0.34) AURKARPS6KB1PDK2ELANE

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 HDAC8 528/4885KCNN4 4827/4885CACNA1G 4247/4885

“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.