SCHEMBL4827006

SCHEMBL4827006

COc1cc(OC)cc(C(=O)c2ccc(OC(F)F)c(OC(F)F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDE4A P27815 8/20 0.49
PDE4B Q07343 8/20 0.49
PDE4C Q08493 8/20 0.49
PDE4D Q08499 8/20 0.49
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48
TUBB4B P68371 3/20 0.48
TUBB3 Q13509 3/20 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
SCHEMBL8269331 0.81 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4824025 0.81 CYP1A2 (0.79) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL4160646 0.78 PDE4A (0.61) ALDH1A1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL4817872 0.77 HTT (0.63) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL4821574 0.77 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL13985990 0.77 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL142851 0.76 PDE4D (0.54) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL10780177 0.75 KDM4E (0.56) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL7362278 0.75 KDM4E (0.59) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL29892240 0.75 KDM4E (0.59) ALDH1A1GAACYP1A2CYP3A4CYP2C9

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 ALDH1A1 124/4885GAA 1186/4885CYP1A2 139/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES ALDH1A1 124/4885GAA 1186/4885CYP1A2 139/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES ALDH1A1 124/4885GAA 1186/4885CYP1A2 139/4885

“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.