SCHEMBL9944232

SCHEMBL9944232

COc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)cc2)cc1OC1CCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.54
PDE4A P27815 6/20 0.54
PDE4B Q07343 6/20 0.54
PDE4C Q08493 6/20 0.54
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
PDE5A O76074 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46
ABCB1 P08183 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
RORC P51449 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
SCHEMBL9944227 0.94 PDE4A (0.51) PDE4DPDE4APDE4BPDE4CTAS1R3
SCHEMBL1459181 0.92 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CTAS1R3
SCHEMBL9944182 0.91 PDE4A (0.54) PDE4DPDE4APDE4BPDE4CTAS1R3
SCHEMBL9944176 0.90 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CTAS1R3
SCHEMBL9944187 0.90 TAS1R3 (0.52) PDE4DPDE4APDE4BPDE4CTAS1R3
SCHEMBL9944234 0.90 PDE5A (0.50) PDE4DPDE4APDE4BPDE4CTAS1R3
SCHEMBL9944162 0.89 PDE4A (0.57) PDE4DPDE4APDE4BPDE4CTAS1R3
SCHEMBL9944223 0.89 MAPT (0.48) PDE4DPDE4APDE4BPDE4CTAS1R3
SCHEMBL9944351 0.88 TAS1R3 (0.53) PDE4DPDE4APDE4BPDE4CTAS1R3
SCHEMBL9944161 0.88 TAS1R3 (0.52) PDE4DPDE4APDE4BPDE4CTAS1R3

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 PDE4D 664/4885PDE4A 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.