SCHEMBL4513853

SCHEMBL4513853

CCC(C(=O)O)n1cnc2c(c1=O)CC(C#N)(c1ccc(OC)c3oc4ccccc4c13)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 4/20 0.35
HSD17B10 Q99714 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
EDNRB P24530 4/20 0.33
PDE4D Q08499 1/20 0.33
PDE10A Q9Y233 1/20 0.32
KMT2A Q03164 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL4519628 0.87 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4017282 0.86 HDAC6 (0.44) ALDH1A1MAPTHSD17B10CYP17A1CYP19A1
SCHEMBL4016542 0.84 CYP19A1 (0.37) ALDH1A1MAPTHSD17B10CYP17A1CYP19A1
SCHEMBL14856886 0.83 HSD17B10 (0.34) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL8201409 0.83 POLB (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4537205 0.79 NPC1 (0.36) ALDH1A1MAPTHSD17B10CYP17A1CYP19A1
SCHEMBL4531869 0.78 PDE4B (0.33) ALDH1A1MAPTKMT2AMEN1
SCHEMBL4016694 0.78 KDM4E (0.36) ALDH1A1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL8212482 0.78 POLB (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4524475 0.77 PDE4B (0.34) ALDH1A1MAPTCYP17A1CYP19A1CYP11B1

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 4 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-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 US claimed
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 ALDH1A1 234/4885CYP1A2 886/4885CYP2C9 957/4885

“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.