SCHEMBL4820908

SCHEMBL4820908

COc1cccc(C(=O)c2cc(OC)cc(OC)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.69
CES1 P23141 1/20 0.69
STS P08842 3/20 0.66
PARP1 P09874 1/20 0.65
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CNR2 P34972 1/20 0.55
MTNR1B P49286 1/20 0.55
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54

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
SCHEMBL4823687 0.94 CES2 (0.77) CES2CES1STSPARP1ESR1
SCHEMBL31414638 0.94 CES2 (0.77) CES2CES1STSPARP1ESR1
Hydrochloric Acid SCHEMBL27733557 0.92 CES2 (0.74) CES2CES1STSPARP1ESR1
SCHEMBL755443 0.89 MEN1 (0.69) CES2CES1STSPARP1NPC1
SCHEMBL30414806 0.89 MEN1 (0.69) CES2CES1STSPARP1NPC1
SCHEMBL2303699 0.87 STS (0.72) CES2CES1STSPARP1NPC1
SCHEMBL2464374 0.86 HTT (0.59) CES2CES1PARP1NPC1RAB9A
SCHEMBL18529835 0.86 CES2 (0.61) CES2CES1STSPARP1ESR1
SCHEMBL17041600 0.86 RAB9A (0.63) CES2CES1STSPARP1ESR1
SCHEMBL11592342 0.86 PBRM1 (0.61) CES2CES1STSPARP1ESR1

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 11 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
CN-101053558-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2007-10-17 CN 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 CES2 920/4885CES1 567/4885STS 1443/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES CES2 920/4885CES1 567/4885STS 1443/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES CES2 920/4885CES1 567/4885STS 1443/4885

“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.