SCHEMBL4862475

SCHEMBL4862475

CCCCC(N)c1ccc(OC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
SLC2A1 P11166 1/20 0.45
PDE4D Q08499 2/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
HTR2A P28223 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL12898700 0.94 SLC2A1 (0.54) ACHESLC2A1PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL10440707 0.92 SLC2A1 (0.56) ACHESLC2A1PDE4DPPARGPPARD
SCHEMBL28103261 0.90 ACHE (0.47) ACHEPDE4DPPARGPPARDPPARA
SCHEMBL13981506 0.90 ACHE (0.47) ACHEPDE4DPPARGPPARDPPARA
SCHEMBL14032377 0.84 ACHE (0.51) ACHEPPARGPPARDPPARACA2
SCHEMBL12750812 0.83 POLB (0.47) ACHEPPARGPPARDPPARACA2
Hydrochloric Acid SCHEMBL5117534 0.82 ACHE (0.50) ACHEPPARGPPARDPPARACA2
SCHEMBL9885399 0.81 ACHE (0.41) ACHEPPARGPPARDPPARACA2
SCHEMBL7436426 0.81 PPARG (0.54) ACHEPDE4DPPARGPPARDPPARA
SCHEMBL7184655 0.81 PPARG (0.46) ACHEPDE4DPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329761-B2 Substituted imides CELGENE CORPORATION (US) 2008-02-12 US disclosed
EP-0800514-B1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORP (US) 2006-08-23 EP disclosed
US-20050090516-A1 Novel substituted imides MULLER GEORGE W (US) 2005-04-28 US disclosed
US-6844359-B2 Substituted imides CELGENE CORPORATION (US) 2005-01-18 US disclosed
US-20020143027-A1 Novel substituted imides MULLER GEORGE W (US) 2002-10-03 US disclosed
US-6429221-B1 INHIBITORS OF TUMOR NECROSIS FACTOR; USED TO TREAT CACHEXIA, ENDOTOXIC SHOCK, AND RETROVIRUS REPLICATION CELGENE CORPORATION 2002-08-06 US disclosed
EP-0800514-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1997-10-15 EP disclosed
WO-1996020926-A9 SUBSTITUTED IMIDES AS TNF INHIBITORS 1996-09-26 WO disclosed
WO-1996020926-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1996-07-11 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 (2 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-20020143027-A1 Novel substituted imides TNF, MIF, TNFRSF1A ACHE 3842/4885SLC2A1 4607/4885PDE4D 4166/4885
US-20050090516-A1 Novel substituted imides TNF, MIF, TNFRSF1A ACHE 3826/4885SLC2A1 4613/4885PDE4D 4159/4885

“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.