SCHEMBL2532604

SCHEMBL2532604

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
AURKA O14965 3/20 0.36
RPS6KB1 P23443 3/20 0.36
FFAR1 O14842 3/20 0.34
VNN1 O95497 2/20 0.33
ELANE P08246 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GRM5 P41594 3/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 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
SCHEMBL2529918 0.91 ALDH1A1 (0.37) CYP11B1CYP11B2AURKARPS6KB1FFAR1
SCHEMBL2528486 0.91 ESR1 (0.39) AURKARPS6KB1FFAR1SLC6A2SLC6A4
SCHEMBL2528152 0.89 AURKA (0.36) AURKARPS6KB1FFAR1SLC6A2SLC6A4
SCHEMBL2527380 0.89 KMT2A (0.37) AURKARPS6KB1FFAR1ELANESLC6A2
SCHEMBL2527399 0.89 SLC6A2 (0.41) AURKARPS6KB1SLC6A2SLC6A4SLC6A3
SCHEMBL2531611 0.88 KDM4E (0.39) CYP11B1CYP11B2AURKARPS6KB1FFAR1
SCHEMBL2528934 0.88 ESR1 (0.39) AURKARPS6KB1FFAR1SLC6A2SLC6A4
SCHEMBL2528696 0.87 SMN1; SMN2 (0.37) AURKARPS6KB1FFAR1SLC6A2SLC6A4
SCHEMBL2526878 0.86 FFAR1 (0.34) AURKARPS6KB1FFAR1SLC6A2SLC6A4
SCHEMBL2531963 0.85 AURKA (0.44) AURKARPS6KB1KDM4EHTTSMN1; SMN2

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 CYP11B1 3030/4885CYP11B2 2418/4885AURKA 2197/4885

“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.