SCHEMBL4861663

SCHEMBL4861663

CCOc1ccc(C(CC(C)C)N2Cc3ccccc3C2=O)cc1OCC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
TNF P01375 1/20 0.52
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PDE4A P27815 5/20 0.47
PDE4B Q07343 5/20 0.47
PDE4C Q08493 5/20 0.47
PDE4D Q08499 5/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL6331732 1.00 TP53 (0.57) TP53TNFMEN1KMT2APDE4A
SCHEMBL6339321 1.00 TP53 (0.57) TP53TNFMEN1KMT2APDE4A
SCHEMBL6287582 0.92 TP53 (0.60) TP53TNFMEN1KMT2APDE4A
SCHEMBL6289218 0.92 TP53 (0.60) TP53TNFMEN1KMT2APDE4A
SCHEMBL4856275 0.92 TP53 (0.60) TP53TNFMEN1KMT2APDE4A
SCHEMBL4857900 0.89 TP53 (0.57) TP53TNFMEN1KMT2APDE4A
SCHEMBL6288909 0.89 TP53 (0.57) TP53TNFMEN1KMT2APDE4A
SCHEMBL6285246 0.89 TP53 (0.57) TP53TNFMEN1KMT2APDE4A
SCHEMBL6288893 0.87 TP53 (0.53) TP53TNFMEN1KMT2APDE4A
SCHEMBL6288905 0.87 TP53 (0.53) TP53TNFMEN1KMT2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800514-B1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORP (US) 2006-08-23 EP claimed
US-6429221-B1 INHIBITORS OF TUMOR NECROSIS FACTOR; USED TO TREAT CACHEXIA, ENDOTOXIC SHOCK, AND RETROVIRUS REPLICATION CELGENE CORPORATION 2002-08-06 US claimed
US-7329761-B2 Substituted imides CELGENE CORPORATION (US) 2008-02-12 US 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

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 TP53 481/4885TNF 1/4885MEN1 3818/4885
US-20050090516-A1 Novel substituted imides TNF, MIF, TNFRSF1A TP53 496/4885TNF 1/4885MEN1 3883/4885

“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.