SCHEMBL4824779

SCHEMBL4824779

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP2C19 P33261 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ACHE P22303 2/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
SIRT6 Q8N6T7 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4821154 0.91 GRIN2D (0.51) ALDH1A1CYP2C19TDP1LMNAL3MBTL1
SCHEMBL4820348 0.88 TUBB4A (0.47) ALDH1A1TDP1LMNAL3MBTL1SIRT6
SCHEMBL4816766 0.87 ALDH1A1 (0.44) ALDH1A1CYP2C19TDP1LMNAL3MBTL1
SCHEMBL18970268 0.86 ALDH1A1 (0.51) ALDH1A1CYP2C19TDP1LMNAL3MBTL1
SCHEMBL24346247 0.84 ALDH1A1 (0.50) ALDH1A1TDP1LMNAL3MBTL1SIRT6
SCHEMBL18970238 0.83 ALDH1A1 (0.49) ALDH1A1CYP2C19TDP1LMNAL3MBTL1
SCHEMBL18970270 0.83 ALDH1A1 (0.49) ALDH1A1CYP2C19TDP1LMNAL3MBTL1
SCHEMBL6656697 0.82 PPARG (0.61) CYP2C19TDP1LMNAL3MBTL1ACHE
SCHEMBL4820656 0.81 TUBB4A (0.56) ALDH1A1CYP2C19TDP1GRIN2DGRIN3B
SCHEMBL4817941 0.81 ALDH1A1 (0.48) ALDH1A1CYP2C19LMNAGRIN2DGRIN3B

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 124/4885CYP2C19 349/4885TDP1 726/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES ALDH1A1 124/4885CYP2C19 349/4885TDP1 726/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES ALDH1A1 124/4885CYP2C19 349/4885TDP1 726/4885

“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.