SCHEMBL6091379

SCHEMBL6091379

COc1ccc(C(=O)Nc2c(C(=O)O)n(Cc3cccc(Cl)c3)c3cc(-c4ccc(OC(C)C)cc4)ccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YWHAH Q04917 5/20 0.45
TP53 P04637 4/20 0.45
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PTGES O14684 1/20 0.42
ABCB1 P08183 1/20 0.42
MDM2 Q00987 2/20 0.42
MCL1 Q07820 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6089483 0.95 TP53 (0.44) YWHAHTP53POLBPTGESABCB1
SCHEMBL6092460 0.92 RXFP1 (0.44) YWHAHTP53POLBRXFP1ABCB1
SCHEMBL6091176 0.91 PTGES (0.43) YWHAHTP53POLBPTGESMDM2
SCHEMBL6090079 0.90 TP53 (0.42) YWHAHTP53POLBPTGESMDM2
SCHEMBL6091449 0.90 PTGES (0.42) YWHAHTP53POLBPTGESMDM2
SCHEMBL6091437 0.90 PTGES (0.42) YWHAHTP53POLBPTGESMDM2
SCHEMBL6096701 0.89 RXFP1 (0.44) TP53RXFP1CSNK2A2CSNK2A1ABCB1
SCHEMBL6090994 0.88 TP53 (0.46) YWHAHTP53POLBRXFP1CSNK2A2
SCHEMBL5735694 0.85 RXFP1 (0.45) YWHAHTP53POLBRXFP1CSNK2A2
SCHEMBL6090090 0.85 PPARG (0.41) TP53ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160879-A1 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-07-20 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 (1 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-20060160879-A1 Indoles useful in the treatment of inflammation IDO1, PTGS1, IDO2 YWHAH 521/4885TP53 2032/4885POLB 3825/4885

“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.