SCHEMBL4824314

SCHEMBL4824314

COc1ccc([N+](=O)[O-])c(C(O)c2cc(OC)c(OC)c(OC)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43
TUBB1 Q9H4B7 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PKM P14618 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL1309457 0.90 ABCB1 (0.47) MAPK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL210215 0.84 HTT (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4820348 0.81 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4820656 0.77 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4816766 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL8726011 0.75 CNR2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5583291 0.74 ALDH1A1 (0.44) MEN1KMT2ACYP2D6ALDH1A1LMNA
SCHEMBL12919855 0.74 ALDH1A1 (0.49) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL14782263 0.74 MEN1 (0.45) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL14947933 0.74 MEN1 (0.45) MAPK1MEN1KMT2AALDH1A1LMNA

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 MAPK1 3043/4885TUBB4A 2850/4885TUBB 3365/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES MAPK1 3043/4885TUBB4A 2850/4885TUBB 3365/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES MAPK1 3043/4885TUBB4A 2850/4885TUBB 3365/4885

“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.