SCHEMBL4816890

SCHEMBL4816890

COc1cc(OC)cc(/C(=C\C#N)c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.71
PDE4B Q07343 11/20 0.71
PDE4C Q08493 11/20 0.71
PDE4D Q08499 11/20 0.71
MAOB P27338 2/20 0.59
MRGPRX4 Q96LA9 2/20 0.56
NR4A2 P43354 2/20 0.56
GUSB P08236 1/20 0.49
SMPD1 P17405 2/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL5193866 1.00 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL4816894 1.00 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL5189807 0.85 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL5189818 0.85 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL4825120 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL4825122 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL4824331 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL4824340 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL5193830 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL4816638 0.80 PDE4A (0.81) 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.