SCHEMBL2903176

SCHEMBL2903176

COc1ccc(I)nc1OC1CCOC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.44
PDE4B Q07343 11/20 0.44
PDE4A P27815 10/20 0.44
PDE4C Q08493 9/20 0.44
LRRK2 Q5S007 2/20 0.43
PDE3B Q13370 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL2905403 1.00 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CLRRK2
SCHEMBL2905574 0.81 PDE4A (0.42) PDE4DPDE4BPDE4APDE4CLRRK2
SCHEMBL2910247 0.81 FFAR4 (0.40) PDE4DPDE4BPDE4APDE4CLRRK2
SCHEMBL30350700 0.81 FFAR4 (0.40) PDE4DPDE4BPDE4APDE4CLRRK2
SCHEMBL7361929 0.79 PDE4D (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL14934301 0.74 PDE4D (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL441334 0.71 KMT2A (0.39)
SCHEMBL23967036 0.71 LRRK2 (0.39) LRRK2
SCHEMBL7361121 0.70 PDE4D (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL12180595 0.70 PDE4D (0.58) PDE4DPDE4BPDE4APDE4CPDE3B

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-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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 (3 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-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B PDE4D 6/4885PDE4B 3/4885PDE4A 1/4885
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B PDE4D 6/4885PDE4B 2/4885PDE4A 1/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B PDE4D 6/4885PDE4B 3/4885PDE4A 1/4885

“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.