SCHEMBL4527581

SCHEMBL4527581

COc1ccc(C2CCC(=O)C(C#N)(C(=O)O)C2)c2c1oc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.43
PDE4B Q07343 3/20 0.40
MAOA P21397 5/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 1/20 0.35
AVPR1A P37288 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
EDNRB P24530 3/20 0.33

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
SCHEMBL4018060 0.78 MAOA (0.51) PDE10APDE4BMAOAKDM4ENPC1
SCHEMBL4527577 0.76 PDE10A (0.43) PDE10APDE4BMAOAKDM4ENPC1
SCHEMBL4012607 0.74 PDE10A (0.41) PDE10APDE4BMAOAKDM4ENPC1
SCHEMBL4515229 0.73 MAOA (0.37) PDE10APDE4BMAOAKDM4ENPC1
SCHEMBL8272339 0.71 MAOA (0.50) PDE10APDE4BMAOAKDM4ENPC1
SCHEMBL4013452 0.70 MAOA (0.46) PDE10APDE4BMAOAKDM4ENPC1
SCHEMBL4008944 0.70 PDE4B (0.48) PDE10APDE4BMAOAKDM4ENPC1
SCHEMBL8271493 0.69 PDE10A (0.65) PDE10APDE4BMAOAKDM4ENPC1
SCHEMBL7705507 0.69 PDE10A (0.51) PDE10APDE4BMAOAKDM4ENPC1
SCHEMBL8271339 0.68 PDE10A (0.59) PDE10APDE4BMAOAKDM4ENPC1

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-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 US claimed

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-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 PDE4A, PDE4B, PDE12 PDE10A 12/4885PDE4B 2/4885MAOA 148/4885

“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.