SCHEMBL4816740

SCHEMBL4816740

COc1cc(OC)cc(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
LMNA P02545 3/20 0.56
RAF1 P04049 1/20 0.56
MAPK1 P28482 1/20 0.56
GFER P55789 1/20 0.56
PAX8 Q06710 1/20 0.56
GAA P10253 2/20 0.51
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50

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
SCHEMBL4818681 0.89 ALDH1A1 (0.59) MAPTALDH1A1HPGDLMNARAF1
SCHEMBL4824442 0.87 TUBB4A (0.60) MAPTALDH1A1HPGDLMNARAF1
SCHEMBL30639036 0.87 CYP3A4 (0.69) MAPTALDH1A1HPGDLMNARAF1
SCHEMBL4825935 0.87 CYP3A4 (0.69) MAPTALDH1A1HPGDLMNARAF1
SCHEMBL7203416 0.83 HPGD (0.59) MAPTALDH1A1HPGDLMNARAF1
SCHEMBL223878 0.80 TTR (0.64) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL2946181 0.80 ALDH1A1 (0.60) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL29753668 0.80 TTR (0.64) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL4824025 0.80 CYP1A2 (0.79) ALDH1A1LMNAGAATUBB4ATUBB
SCHEMBL4863468 0.80 TSHR (0.56) MAPTALDH1A1HPGDLMNARAF1

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 MAPT 2161/4885ALDH1A1 124/4885HPGD 136/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES MAPT 2161/4885ALDH1A1 124/4885HPGD 136/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES MAPT 2161/4885ALDH1A1 124/4885HPGD 136/4885

“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.