SCHEMBL4821087

SCHEMBL4821087

CCOc1cc(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
CYP3A4 P08684 4/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
CYP2C19 P33261 3/20 0.57
CYP1A2 P05177 2/20 0.57
MAPT P10636 3/20 0.56
MAPK1 P28482 1/20 0.55
TSHR P16473 3/20 0.54
LMNA P02545 3/20 0.54
CYP2C9 P11712 1/20 0.54
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.51
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51

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
SCHEMBL4863468 0.90 TSHR (0.56) ALDH1A1CYP3A4KMT2AMEN1CYP2C19
SCHEMBL4824020 0.90 PDE4A (0.63) ALDH1A1CYP3A4KMT2AMEN1CYP2C19
SCHEMBL4818648 0.89 CYP3A4 (0.69) ALDH1A1CYP3A4KMT2AMEN1CYP2C19
SCHEMBL3824914 0.87 ALDH1A1 (0.63) ALDH1A1CYP3A4KMT2AMEN1CYP2C19
SCHEMBL4824365 0.87 PDE4A (0.63) ALDH1A1CYP3A4KMT2AMEN1CYP2C19
SCHEMBL4824357 0.87 PDE4A (0.63) ALDH1A1CYP3A4KMT2AMEN1CYP2C19
SCHEMBL4826029 0.86 TSHR (0.72) ALDH1A1CYP3A4CYP2C19CYP1A2MAPK1
SCHEMBL5076592 0.84 TSHR (0.76) ALDH1A1CYP3A4CYP2C19CYP1A2MAPK1
SCHEMBL4818707 0.82 TUBB4A (0.62) ALDH1A1CYP3A4KMT2ACYP2C19CYP1A2
SCHEMBL4818647 0.82 PDE4A (0.76)

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 ALDH1A1 124/4885CYP3A4 356/4885KMT2A 1616/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES ALDH1A1 124/4885CYP3A4 356/4885KMT2A 1616/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES ALDH1A1 124/4885CYP3A4 356/4885KMT2A 1616/4885

“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.