SCHEMBL2403528

SCHEMBL2403528

COc1ccc(C(CC2CC2)C(N)=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
PDE4B Q07343 5/20 0.42
TNF P01375 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNQ2 O43526 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
CTSD P07339 1/20 0.40
LDHA P00338 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL2405230 0.92 MAPK1 (0.51) ACHEPDE4BPDE4APDE4CPDE4D
SCHEMBL2410391 0.91 PDE4B (0.46) ACHEPDE4BPDE4APDE4CPDE4D
SCHEMBL2404782 0.91 PDE4B (0.47) PDE4BTNFPDE4APDE4CPDE4D
SCHEMBL2406045 0.91 PDE4B (0.40) ACHEPDE4BCTSD
SCHEMBL2404081 0.91 BLM (0.49) ACHENPSR1ALDH1A1
SCHEMBL2406182 0.90 PDE4B (0.42) ACHEPDE4BPDE4APDE4CPDE4D
SCHEMBL2405482 0.87 PDE4B (0.36) ACHEPDE4BNPSR1ALDH1A1CTSD
SCHEMBL2403865 0.86 TDP1 (0.42)
SCHEMBL2646112 0.83 ACHE (0.48) ACHEPDE4BPDE4APDE4CPDE4D
SCHEMBL2405258 0.82 CA1 (0.42) TNFCA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 ACHE 1608/4885PPARG 1470/4885PPARD 930/4885

“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.