SCHEMBL4825935

SCHEMBL4825935

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.69
TSHR P16473 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
ALDH1A1 P00352 8/20 0.59
GAA P10253 2/20 0.59
MAPT P10636 5/20 0.56
TTR P02766 1/20 0.54
ACHE P22303 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
TPMT P51580 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
LMNA P02545 2/20 0.52

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
SCHEMBL30639036 1.00 CYP3A4 (0.69) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL4818648 0.91 CYP3A4 (0.69) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL4824442 0.88 TUBB4A (0.60) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL4816740 0.87 MAPT (0.56) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL8728320 0.87 CYP3A4 (0.63) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL7203416 0.87 HPGD (0.59) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL4863468 0.86 TSHR (0.56) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL7391611 0.86 MAPT (0.58) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL223645 0.86 PARP1 (0.55) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL29689258 0.86 PARP1 (0.55) CYP3A4TSHRCYP1A2CYP2C9CYP2C19

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 CYP3A4 356/4885TSHR 4476/4885CYP1A2 139/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES CYP3A4 356/4885TSHR 4476/4885CYP1A2 139/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES CYP3A4 356/4885TSHR 4476/4885CYP1A2 139/4885

“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.