SCHEMBL2532007

SCHEMBL2532007

CCCC(=O)Oc1ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
ESR1 P03372 2/20 0.38
HIF1A Q16665 1/20 0.38
AOC3 Q16853 1/20 0.37
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 1/20 0.36
ELANE P08246 3/20 0.36
GPR88 Q9GZN0 1/20 0.36
BCHE P06276 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
BACE1 P56817 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
SCHEMBL2529496 0.93 KMT2A (0.37) BCL9CTNNB1ESR1HIF1AAOC3
SCHEMBL2525190 0.92 KMT2A (0.41) ESR1HIF1AAOC3KMT2ARAB9A
SCHEMBL2529208 0.91 KMT2A (0.43) ESR1KMT2ARAB9A
SCHEMBL2529281 0.90 ESR1 (0.49) ESR1HIF1AAOC3KMT2ARAB9A
SCHEMBL2529249 0.86 AOC3 (0.37) ESR1HIF1AAOC3ALDH1A1ELANE
SCHEMBL2530998 0.85 KMT2A (0.49) KMT2ABACE1
SCHEMBL2525142 0.85 AOC3 (0.40) ESR1HIF1AAOC3MAPTLMNA
SCHEMBL2525540 0.85 PPARG (0.41) ESR1HIF1AAOC3KMT2AMAPT
SCHEMBL2526823 0.85 AOC3 (0.43) AOC3KMT2AALDH1A1MAPTLMNA
SCHEMBL2525585 0.85 BCHE (0.43) ALDH1A1MAPTBCHE

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 BCL9 2125/4885CTNNB1 4612/4885ESR1 3542/4885

“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.