SCHEMBL2528486

SCHEMBL2528486

COc1cccc(C(=O)Oc2ccc(C(CN(C)C(=O)OC(C)(C)C)c3nccn3C(=O)O)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
FFAR1 O14842 2/20 0.39
AURKA O14965 4/20 0.37
RPS6KB1 P23443 4/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
BCHE P06276 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2526878 0.93 FFAR1 (0.34) FFAR1AURKARPS6KB1POLBSLC6A2
SCHEMBL2527380 0.92 KMT2A (0.37) ESR1FFAR1AURKARPS6KB1KMT2A
SCHEMBL2526970 0.92 CYP1A2 (0.38) FFAR1AURKARPS6KB1KMT2ASLC6A2
SCHEMBL2527399 0.92 SLC6A2 (0.41) AURKARPS6KB1KMT2ASLC6A2SLC6A4
SCHEMBL2531611 0.91 KDM4E (0.39) FFAR1AURKARPS6KB1KMT2AMEN1
SCHEMBL2528934 0.91 ESR1 (0.39) ESR1ESR2FFAR1AURKARPS6KB1
SCHEMBL2532604 0.91 CYP11B1 (0.36) FFAR1AURKARPS6KB1SLC6A2SLC6A4
SCHEMBL2528152 0.90 AURKA (0.36) FFAR1AURKARPS6KB1KMT2ASLC6A2
SCHEMBL2528696 0.90 SMN1; SMN2 (0.37) FFAR1AURKARPS6KB1SLC6A2SLC6A4
SCHEMBL2531963 0.88 AURKA (0.44) AURKARPS6KB1KMT2AMEN1RAB9A

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 ESR1 3542/4885ESR2 2607/4885FFAR1 60/4885

“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.