SCHEMBL4821154

SCHEMBL4821154

COc1ccc(C(O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
GRM8 O00222 3/20 0.50
GRM4 Q14833 3/20 0.50
GRM6 O15303 2/20 0.50
ALDH1A1 P00352 7/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 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
SCHEMBL4824779 0.91 ALDH1A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4820656 0.90 TUBB4A (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4817941 0.89 ALDH1A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4816874 0.87 GRM8 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29192875 0.84 GRM8 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6656697 0.82 PPARG (0.61) CYP2C19TDP1HTTLMNAGAA
SCHEMBL12089924 0.81 ALDH1A1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31347515 0.80 ALDH1A1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31584827 0.80 ALDH1A1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4820348 0.79 TUBB4A (0.47) ALDH1A1MAPTTDP1HTTLMNA

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 GRIN2D 4642/4885GRIN3B 4517/4885GRIN1 4698/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES GRIN2D 4642/4885GRIN3B 4517/4885GRIN1 4698/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES GRIN2D 4642/4885GRIN3B 4517/4885GRIN1 4698/4885

“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.