SCHEMBL2265688

SCHEMBL2265688

CCOc1cc(OCC)c(C2=N[C@@H]3CC[C@@H](OC(C)=O)C[C@@H]3c3cc(OCC)c(OC)cc32)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
KDM4E B2RXH2 2/20 0.34
FPR2 P25090 4/20 0.33
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
DPP4 P27487 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1411447 0.95 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1410732 0.89 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL2266060 0.86 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411271 0.86 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411494 0.86 PDE4A (0.42) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411548 0.86 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411456 0.85 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1410978 0.85 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411659 0.85 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411241 0.85 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CKDM4E

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 3 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
US-8003798-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2011-08-23 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 PDE4D 4/4885PDE4A 1/4885PDE4B 2/4885
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE4D 4/4885PDE4A 1/4885PDE4B 2/4885

“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.