SCHEMBL4823451

SCHEMBL4823451

COc1ccc(C(=O)c2ccc(N)cc2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.79
CYP2C19 P33261 2/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2C9 P11712 1/20 0.79
TSHR P16473 1/20 0.79
ALDH1A1 P00352 3/20 0.72
GAA P10253 1/20 0.72
LMNA P02545 1/20 0.66
HTT P42858 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
SLC22A6 Q4U2R8 1/20 0.62
SLC22A8 Q8TCC7 1/20 0.62
TUBB4A P04350 2/20 0.59
TUBB P07437 2/20 0.59
TUBA3C P0DPH7 2/20 0.59
TUBA1B P68363 2/20 0.59
TUBA4A P68366 2/20 0.59
TUBB4B P68371 2/20 0.59
TUBB3 Q13509 2/20 0.59
TUBB2A Q13885 2/20 0.59

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
SCHEMBL8500772 1.00 CYP1A2 (0.79) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL9364577 0.91 CYP1A2 (0.96) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL1493250 0.89 CYP1A2 (1.00) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL8625485 0.88 ALDH1A1 (0.86) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL8626158 0.88 ALDH1A1 (0.64) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL6654012 0.86 SLC22A6 (0.59) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL4825052 0.85 CYP1A2 (0.71) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL6650962 0.84 TUBB4A (0.73) SLC22A6SLC22A8TUBB4ATUBBTUBA3C
SCHEMBL7369813 0.84 SLC22A6 (0.89) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL6872165 0.84 TSHR (0.81) CYP1A2CYP2C19CYP3A4CYP2C9TSHR

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 20 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
EP-1361210-B1 Novel immunotherapeutic agents and their use in the reduction of cytokine levels CELGENE CORP (US) 2008-12-24 EP 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
US-7019030-B2 Cyano and carboxy derivatives of substituted styrenes; inhibitors of tumor necrosis factor alpha, nuclear factor kappa B, and phosphodiesterase CELGENE CORPORATION (US) 2006-03-28 US 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
US-20040019106-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2004-01-29 US disclosed
EP-1361210-A2 Novel immunotherapeutic agents and their use in the reduction of cytokine levels CELGENE CORPORATION (US) 2003-11-12 EP disclosed
US-20030045726-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2003-03-06 US disclosed
US-6479554-B2 CYANO AND CARBOXY DERIVATIVES OF SUBSTITUTED STYRENES ARE INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA , NUCLEAR FACTOR KAPPA B, AND PHOSPHODIESTERASE AND CAN BE USED TO TREAT CACHEXIA, ENDOTOXIC SHOCK, INFLAMMATORY CONDITIONS ETC. CELGENE CORPORATION 2002-11-12 US disclosed
US-20010056107-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2001-12-27 US disclosed
US-6262101-B1 ALPHA-PYRROLIDINE, IMIDAZOLE AND THIOPHENE-SUBSTITUTED STYRENE DERIVATIVES; INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA, NUCLEAR FACTOR KAPPA B, AND PHOSPHODIESTERASE CELGENE CORPORATION 2001-07-17 US disclosed
US-6130226-A Immunotherapeutic agents CELGENE CORPORATION (US) 2000-10-10 US disclosed
US-5929117-A COMPOUNDS WHICH MEDIATE ACTION OF PHOSPHODIESTERASE AND FORMATION OF TUMOR NECROSIS FACTOR AND NUCLEAR FACTORS CELGENE CORPORATION (US) 1999-07-27 US 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 (6 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 CYP1A2 139/4885CYP2C19 349/4885CYP3A4 356/4885
US-20030045726-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG CYP1A2 3471/4885CYP2C19 4166/4885CYP3A4 3495/4885
US-20040019106-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG CYP1A2 3471/4885CYP2C19 4166/4885CYP3A4 3495/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES CYP1A2 139/4885CYP2C19 349/4885CYP3A4 356/4885
US-20010056107-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG CYP1A2 3471/4885CYP2C19 4166/4885CYP3A4 3495/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES CYP1A2 139/4885CYP2C19 349/4885CYP3A4 356/4885

“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.