SCHEMBL4826522

SCHEMBL4826522

COc1cccc(/C(=C\C#N)c2ccc3c(c2)OCCO3)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.65
PDE4B Q07343 12/20 0.65
PDE4C Q08493 12/20 0.65
PDE4D Q08499 12/20 0.65
CTNNB1 P35222 2/20 0.62
WNT3A P56704 2/20 0.62
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
PKM P14618 1/20 0.54
PLK1 P53350 1/20 0.49
POLB P06746 2/20 0.48
ADCY1 Q08828 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL4826523 1.00 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL4822144 0.93 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL4822142 0.93 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL8271352 0.93 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL8270542 0.90 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL4825790 0.90 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL4821406 0.90 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL4818588 0.90 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL4825780 0.90 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL4823348 0.85 TSHR (0.50) PDE4APDE4BPDE4CPDE4DCTNNB1

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 6 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-7470723-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2008-12-30 US disclosed
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 EP disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 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 (1 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

“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.