SCHEMBL9944202

SCHEMBL9944202

CCOc1c(OC2CCCC2)cc(C(=O)Nc2ccc(C(C)=O)cc2)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
GAA P10253 2/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL1458268 0.91 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL9944223 0.91 MAPT (0.48) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL9944280 0.87 GAA (0.51) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL9944182 0.84 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL9944176 0.83 PDE4D (0.53) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL9944227 0.82 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL1458518 0.82 MEN1 (0.55) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL9944233 0.81 MAPT (0.50) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL9944232 0.81 PDE4D (0.54) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL9944161 0.80 TAS1R3 (0.52) PDE4APDE4BPDE4CPDE4DKMT2A

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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG PDE4A 358/4885PDE4B 512/4885PDE4C 840/4885

“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.