SCHEMBL6497619

SCHEMBL6497619

CCOc1n[nH]c(=O)n1CCO

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 3/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
P2RX3 P56373 1/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30

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
SCHEMBL7991493 0.82 ADORA2A (0.33) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL3211179 0.77 NOTUM (0.35) MEN1KMT2ALMNAHSD17B10MAPT
SCHEMBL8801367 0.75 DAO (0.37) PDE4DLMNAALDH1A1
SCHEMBL7911441 0.74 MAT2A (0.31) LMNA
SCHEMBL28823378 0.74 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8305450 0.72 ALDH1A1 (0.35) LMNAALDH1A1
SCHEMBL8801439 0.70 MAT2A (0.31) LMNA
SCHEMBL8768659 0.66 KDM4E (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6228685 0.63 MAPK1 (0.41) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8801755 0.63 LMNA (0.33) LMNAALDH1A1TSHR

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-20050009704-A1 Substituted aryl ketones SCHALLNER OTTO (DE) 2005-01-13 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-20050009704-A1 Substituted aryl ketones CBR3, CBR1, CYCS PDE4A 3689/4885PDE4B 3896/4885PDE4C 3685/4885

“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.