SCHEMBL4818205

SCHEMBL4818205

COc1ccc(C(O)C2=COC=C(C3=CC=CCC3)O2)cc1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 5/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HIF1A Q16665 2/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4824506 0.92 ALDH1A1 (0.38) LMNASMN1; SMN2KMT2ANPSR1L3MBTL1
SCHEMBL4818543 0.86 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4825740 0.84 PKM (0.34) L3MBTL1PKM
SCHEMBL182571 0.70 PIK3CD (0.45) LMNAKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3729102 0.70
SCHEMBL4831678 0.69
SCHEMBL182855 0.69 PIK3CD (0.46)
SCHEMBL1168014 0.69 NPC1 (0.32) HTTSMN1; SMN2KMT2ANPSR1L3MBTL1
SCHEMBL1168498 0.69 KDM4E (0.32) HTTSMN1; SMN2KMT2ANPSR1L3MBTL1
SCHEMBL4825490 0.69

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 HTT 1033/4885LMNA 2114/4885GAA 1186/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES HTT 1033/4885LMNA 2114/4885GAA 1186/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES HTT 1033/4885LMNA 2114/4885GAA 1186/4885

“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.