SCHEMBL2528152

SCHEMBL2528152

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.36
RPS6KB1 P23443 7/20 0.36
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GPR88 Q9GZN0 1/20 0.32
ALDH1A1 P00352 3/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 4/20 0.32
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CASR P41180 1/20 0.31
HTR2C P28335 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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) AURKARPS6KB1SLC6A4SLC6A2SLC6A3
SCHEMBL2527380 0.90 KMT2A (0.37) AURKARPS6KB1SLC6A4SLC6A2SLC6A3
SCHEMBL2528486 0.90 ESR1 (0.39) AURKARPS6KB1SLC6A4SLC6A2SLC6A3
SCHEMBL2527399 0.90 SLC6A2 (0.41) AURKARPS6KB1SLC6A4SLC6A2SLC6A3
SCHEMBL2528696 0.90 SMN1; SMN2 (0.37) AURKARPS6KB1SLC6A4SLC6A2SLC6A3
SCHEMBL2528934 0.90 ESR1 (0.39) AURKARPS6KB1SLC6A4SLC6A2SLC6A3
SCHEMBL2532604 0.89 CYP11B1 (0.36) AURKARPS6KB1SLC6A4SLC6A2SLC6A3
SCHEMBL2526892 0.87 MAPT (0.38) AURKARPS6KB1SLC6A4SLC6A2SLC6A3
SCHEMBL2530502 0.87 AURKA (0.32) AURKARPS6KB1SLC6A4SLC6A2SLC6A3
SCHEMBL2531963 0.87 AURKA (0.44) AURKARPS6KB1ALDH1A1KMT2AMAPT

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 AURKA 2197/4885RPS6KB1 1424/4885SLC6A4 3465/4885

“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.