SCHEMBL4821064

SCHEMBL4821064

COc1cc(/C(=C/C#N)c2cc(OC)c(OC)c(OC)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.68
PDE4B Q07343 19/20 0.68
PDE4C Q08493 19/20 0.68
PDE4D Q08499 19/20 0.68

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
SCHEMBL27684116 1.00 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL4821069 1.00 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL4818592 0.92 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL4818582 0.92 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL4816649 0.90 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL4816651 0.90 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL4824508 0.90 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL4824513 0.90 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL4823263 0.84 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL4823269 0.84 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470723-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2008-12-30 US disclosed
US-20080114061-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2008-05-15 US disclosed
US-7312241-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2007-12-25 US disclosed
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 EP disclosed
EP-1603864-A4 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORP (US) 2007-04-11 EP disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed
EP-1603864-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2005-12-14 EP disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 US disclosed
US-20050014727-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-01-20 US disclosed
WO-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 WO 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-20050107339-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES PDE4A 2547/4885PDE4B 2484/4885PDE4C 2542/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES PDE4A 2547/4885PDE4B 2484/4885PDE4C 2542/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES PDE4A 2547/4885PDE4B 2484/4885PDE4C 2542/4885

“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.