SCHEMBL9944280

SCHEMBL9944280

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.45
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
POLB P06746 2/20 0.42
GLA P06280 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL9944319 0.92 MAPT (0.48) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL9944202 0.87 PDE4A (0.54) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL1458268 0.87 PDE4A (0.56) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL9944351 0.82 TAS1R3 (0.53) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL1458518 0.81 MEN1 (0.55) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL9944223 0.81 MAPT (0.48) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL9944340 0.79 MAPT (0.47) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL9944350 0.78 MAPT (0.50) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL9944324 0.77 GAA (0.50) GAAKMT2AMEN1MAPTLMNA
SCHEMBL9944293 0.76 TAS1R3 (0.53) GAAKMT2AMEN1MAPTLMNA

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 GAA 149/4885PDE4A 358/4885PDE4B 512/4885

“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.