SCHEMBL2525142

SCHEMBL2525142

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.40
ELANE P08246 3/20 0.39
LMNA P02545 3/20 0.38
BCHE P06276 2/20 0.38
HIF1A Q16665 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
PDE4A P27815 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
STAT6 P42226 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2529628 0.90 ELANE (0.42) AOC3ELANELMNABCHERAB9A
SCHEMBL2532586 0.88 ELANE (0.55) AOC3ELANELMNABCHEHIF1A
SCHEMBL2529281 0.87 ESR1 (0.49) AOC3ELANEBCHEHIF1AESR1
SCHEMBL2527485 0.86 ELANE (0.43) AOC3ELANELMNABCHERAB9A
SCHEMBL2529249 0.85 AOC3 (0.37) AOC3ELANEBCHEHIF1AESR1
SCHEMBL2532007 0.85 BCL9 (0.41) AOC3ELANELMNABCHEHIF1A
SCHEMBL2527786 0.84 BCHE (0.42) AOC3ELANEBCHEKDM4ESLC6A3
SCHEMBL2525241 0.84 KMT2A (0.51) SLC6A3RAB9AMAPTPKMCYP2D6
SCHEMBL2532624 0.83 TAAR1 (0.39) AOC3HIF1AKDM4ECYP2C9TSHR
SCHEMBL2529496 0.83 KMT2A (0.37) AOC3ELANELMNABCHEHIF1A

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 4 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
US-4108973-A OXIDATION HOFFMANN-LA ROCHE INC. (US) 1978-08-22 US disclosed
US-4041076-A USEFUL IN PREPARING ANTIGENS; N-(2-(4-HYDROXYPHENYL)ETHYL)-2-(4-(2-AMINOPROPYL)-PHENOXY) ACETAMIDES HOFFMANN-LA ROCHE INC. (US) 1977-08-09 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 AOC3 2105/4885ELANE 270/4885LMNA 2981/4885

“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.