SCHEMBL2538730

SCHEMBL2538730

COc1cc2c(cc1OC)C1CC(OC(C)=O)CCC1N=C2c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
PDE4D Q08499 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE10A Q9Y233 2/20 0.39
CYP11B1 P15538 5/20 0.35
CYP11B2 P19099 5/20 0.35
CYP19A1 P11511 2/20 0.35
CYP17A1 P05093 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
CHEK1 O14757 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL2344796 0.95 PDE4A (0.47) MKNK1MKNK2PDE4DPDE4APDE4B
SCHEMBL2343649 0.93 PDE4D (0.38) MKNK1MKNK2PDE4DPDE4APDE4B
SCHEMBL2541131 0.93 MKNK1 (0.41) MKNK1MKNK2PDE4DPDE4APDE4B
SCHEMBL2545779 0.91 PDE4D (0.41) MKNK1MKNK2PDE4DPDE4APDE4B
SCHEMBL2350503 0.89 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CCYP19A1
SCHEMBL2262105 0.84 PDE10A (0.40) MKNK1MKNK2PDE4DPDE4APDE4B
SCHEMBL5481937 0.84 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL2341011 0.84 MAPT (0.40) MKNK1MKNK2PDE4DPDE4APDE4B
SCHEMBL3471184 0.84 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CCHEK1
SCHEMBL2346855 0.84 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-10-20 US disclosed
US-20110257221-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-10-20 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 (2 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-20110257221-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C MKNK1 3217/4885MKNK2 2748/4885PDE4D 4/4885
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C MKNK1 3217/4885MKNK2 2748/4885PDE4D 4/4885

“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.