SCHEMBL4515229

SCHEMBL4515229

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
PDE4B Q07343 4/20 0.36
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDE10A Q9Y233 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.32
EDNRB P24530 2/20 0.32
DUSP3 P51452 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL4012783 0.83 MAOA (0.43) MAOAKDM4ENPC1ALDH1A1LMNA
Bicarbonate SCHEMBL14856672 0.82 MAOA (0.39) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL4008944 0.81 PDE4B (0.48) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL4012666 0.79 PDE4B (0.37) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL4520437 0.78 PDE4B (0.35) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL4018397 0.78 PDE4B (0.33) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL4013462 0.77 MAOA (0.36) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL8214291 0.77 KDM4E (0.38) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL4163937 0.76 MEN1 (0.38) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL4532071 0.76 MAOA (0.39) MAOAKDM4ENPC1ALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074106-B1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LAB LTD (IN) 2013-04-17 EP claimed
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 US claimed
EP-2074106-B1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LAB LTD (IN) 2013-04-17 EP disclosed
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 US disclosed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 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-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 PDE4A, PDE4B, PDE12 MAOA 148/4885KDM4E 393/4885NPC1 4500/4885

“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.