SCHEMBL4818103

SCHEMBL4818103

COc1ccc(C(=CC#N)c2ccc3c(c2)OCO3)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.72
PDE4B Q07343 14/20 0.72
PDE4C Q08493 14/20 0.72
PDE4D Q08499 14/20 0.72
KMT2A Q03164 1/20 0.54
MAPT P10636 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
STAT1 P42224 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 1/20 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
SCHEMBL7251263 1.00 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4818093 1.00 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7251260 1.00 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4817190 0.92 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8313283 0.92 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4817196 0.92 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8271376 0.91 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL4816835 0.86 ALDH1A1 (0.56) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4816849 0.86 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4819700 0.86 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DMAPT

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 33 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
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
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
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.