SCHEMBL4816517

SCHEMBL4816517

CCOc1cc(C(CC#N)c2cccc3ccccc23)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.53
PDE4B Q07343 12/20 0.53
PDE4C Q08493 12/20 0.53
PDE4D Q08499 12/20 0.53
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BCHE P06276 1/20 0.40
TYR P14679 1/20 0.40
ACHE P22303 1/20 0.40
MYB P10242 1/20 0.39

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
SCHEMBL4816821 0.84 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4820983 0.84 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4824239 0.83 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4822033 0.76 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL20459371 0.75 PDE4B (0.58) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4816580 0.75 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4825001 0.74 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2462308 0.74 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL31062958 0.74 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL827394 0.73 PDE4A (0.75) 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361210-A2 Novel immunotherapeutic agents and their use in the reduction of cytokine levels CELGENE CORPORATION (US) 2003-11-12 EP claimed
EP-0918746-B1 IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORP (US) 2003-04-09 EP claimed
US-20030045726-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2003-03-06 US claimed
US-20010056107-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2001-12-27 US claimed
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 claimed
EP-0918746-A1 IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORPORATION (US) 1999-06-02 EP claimed
WO-1998006692-A1 NOVEL IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORPORATION (US) 1998-02-19 WO claimed
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
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 (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-20030045726-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.