SCHEMBL4818554

SCHEMBL4818554

COc1ccc(C(=CC#N)c2cccc([N+](=O)[O-])c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.67
PDE4B Q07343 15/20 0.67
PDE4C Q08493 15/20 0.67
PDE4D Q08499 15/20 0.67
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SETD7 Q8WTS6 1/20 0.55
GAA P10253 1/20 0.52
ACHE P22303 1/20 0.49

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
SCHEMBL5191707 1.00 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8323420 1.00 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4823581 0.89 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4823577 0.89 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8269319 0.86 MAPT (0.63) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4824513 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL4824508 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL4825938 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4825944 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL825369 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20040019106-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2004-01-29 US claimed
US-7470723-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2008-12-30 US disclosed
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-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
EP-0918746-B1 IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORP (US) 2003-04-09 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
EP-0918746-A1 IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORPORATION (US) 1999-06-02 EP disclosed
WO-1998006692-A1 NOVEL IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORPORATION (US) 1998-02-19 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 (4 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-20030045726-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG PDE4A 22/4885PDE4B 33/4885PDE4C 39/4885
US-20040019106-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG PDE4A 22/4885PDE4B 33/4885PDE4C 39/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES PDE4A 2547/4885PDE4B 2484/4885PDE4C 2542/4885
US-20010056107-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG PDE4A 22/4885PDE4B 33/4885PDE4C 39/4885

“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.