SCHEMBL2528696

SCHEMBL2528696

CN(CC(c1ccc(OC(=O)c2cccc(CCl)c2)cc1)c1nccn1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
AURKA O14965 2/20 0.35
RPS6KB1 P23443 2/20 0.35
SLC7A5 Q01650 1/20 0.35
FFAR1 O14842 8/20 0.34
SLC6A4 P31645 2/20 0.33
CYP26A1 O43174 2/20 0.33
CYP3A4 P08684 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR2C P28335 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
GPR88 Q9GZN0 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
SCHEMBL2531611 0.91 KDM4E (0.39) AURKARPS6KB1FFAR1SLC6A4SLC6A2
SCHEMBL2527638 0.90 SLC6A4 (0.33) AURKARPS6KB1SLC6A4CYP26A1CYP3A4
SCHEMBL2528152 0.90 AURKA (0.36) SMN1; SMN2AURKARPS6KB1FFAR1SLC6A4
SCHEMBL2527380 0.90 KMT2A (0.37) AURKARPS6KB1FFAR1SLC6A4CYP3A4
SCHEMBL2528486 0.90 ESR1 (0.39) AURKARPS6KB1FFAR1SLC6A4SLC6A2
SCHEMBL2527399 0.89 SLC6A2 (0.41) SMN1; SMN2AURKARPS6KB1SLC6A4SLC6A2
SCHEMBL2528934 0.89 ESR1 (0.39) AURKARPS6KB1FFAR1SLC6A4SLC6A2
SCHEMBL2532604 0.87 CYP11B1 (0.36) SMN1; SMN2AURKARPS6KB1FFAR1SLC6A4
SCHEMBL2526892 0.86 MAPT (0.38) AURKARPS6KB1FFAR1SLC6A4SLC6A2
SCHEMBL2530502 0.86 AURKA (0.32) AURKARPS6KB1FFAR1SLC6A4CYP26A1

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 SMN1; SMN2 1884/4885AURKA 2197/4885RPS6KB1 1424/4885

“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.