SCHEMBL2531907

SCHEMBL2531907

Cc1cccc(CC(=O)Oc2ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
BACE1 P56817 7/20 0.38
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 1/20 0.35
GLS O94925 1/20 0.35
GAA P10253 1/20 0.34
MAOB P27338 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 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
SCHEMBL2528744 0.90 RIPK1 (0.39) BACE1GLSMAOBPPARGPPARA
SCHEMBL2527519 0.90 ALOX5 (0.39) BACE1FFAR1MAOB
SCHEMBL2525775 0.90 RIPK1 (0.39) BACE1FFAR1MAOB
SCHEMBL2527518 0.90 PDGFRB (0.41) BACE1L3MBTL1
SCHEMBL2529626 0.89 KMT2A (0.40) BACE1L3MBTL1PPARGPPARA
SCHEMBL2528951 0.89 L3MBTL1 (0.42) L3MBTL1PPARGPPARA
SCHEMBL2526471 0.88 MEN1 (0.40) L3MBTL1MAOB
SCHEMBL2526481 0.88 L3MBTL1 (0.38) BACE1L3MBTL1PPARGPPARA
SCHEMBL2533456 0.88 CETP (0.43) BACE1GLS
SCHEMBL2530863 0.87 AURKA (0.43) L3MBTL1FFAR1GAAMAOB

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 TAAR1 865/4885BACE1 1634/4885LTB4R 311/4885

“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.