SCHEMBL2525190

SCHEMBL2525190

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 2/20 0.38
HTR1A P08908 1/20 0.37
HTR1B P28222 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGER2 P43116 3/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
AOC3 Q16853 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
CA2 P00918 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
SCHEMBL2529208 0.99 KMT2A (0.43) KMT2ASMN1; SMN2ESR1HTR1AHTR1B
SCHEMBL2529496 0.97 KMT2A (0.37) KMT2ASMN1; SMN2ESR1HTR1AHTR1B
SCHEMBL2532007 0.92 BCL9 (0.41) KMT2AESR1RAB9AHIF1AAOC3
SCHEMBL2529281 0.87 ESR1 (0.49) KMT2ASMN1; SMN2ESR1RAB9AHIF1A
SCHEMBL2532643 0.85 KMT2A (0.42) KMT2A
SCHEMBL2527112 0.84 KDM4E (0.40) SMN1; SMN2HIF1A
SCHEMBL2530531 0.84 PPARG (0.39) KMT2A
SCHEMBL2529249 0.83 AOC3 (0.37) ESR1HIF1AAOC3GPR88
SCHEMBL2530998 0.83 KMT2A (0.49) KMT2A
SCHEMBL2525142 0.82 AOC3 (0.40) ESR1RAB9AHIF1AAOC3GPR88

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 5 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 claimed
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
EP-1963255-A1 SYNEPHRINE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP disclosed
WO-2007071452-A1 SYNEPHRINE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO 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 KMT2A 2317/4885SMN1; SMN2 1884/4885ESR1 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.