SCHEMBL5076592

SCHEMBL5076592

CCOc1cc(C(=O)c2ccc(OC)c(OC)c2)ccc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
MAPK1 P28482 1/20 0.73
ALDH1A1 P00352 1/20 0.65
GAA P10253 1/20 0.65
NPC1 O15118 1/20 0.63
USP2 O75604 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TP53 P04637 1/20 0.62
PDE4A P27815 6/20 0.60
PDE4B Q07343 6/20 0.60
PDE4C Q08493 6/20 0.60
PDE4D Q08499 6/20 0.60
ACHE P22303 1/20 0.60
HPGD P15428 1/20 0.58

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
SCHEMBL4826029 0.98 TSHR (0.72) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4826406 0.91 PDE4A (0.76) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4825956 0.91 PDE4A (0.64) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5077500 0.91 LMNA (0.63) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4824589 0.89 PDE4A (0.64) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4822545 0.89 PDE4A (0.62) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20496433 0.89 NPC1 (0.71) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1493250 0.87 CYP1A2 (1.00) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4819890 0.87 PDE4A (0.67) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4816909 0.87 PDE4A (0.62) TSHRCYP1A2CYP3A4CYP2C9CYP2C19

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361210-B1 Novel immunotherapeutic agents and their use in the reduction of cytokine levels CELGENE CORP (US) 2008-12-24 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
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
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 TSHR 4432/4885CYP1A2 3471/4885CYP3A4 3495/4885
US-20040019106-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG TSHR 4432/4885CYP1A2 3471/4885CYP3A4 3495/4885
US-20010056107-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG TSHR 4432/4885CYP1A2 3471/4885CYP3A4 3495/4885

“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.