SCHEMBL6093283

SCHEMBL6093283

CCCCc1ccc(-c2ccc3c(NC(=O)c4cccc(-n5c(C)ccc5C)c4)c(C(=O)O)n(Cc4cccc(Cl)c4)c3c2)cc1.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
PPARG P37231 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGER1 P34995 2/20 0.36
YWHAH Q04917 1/20 0.36
THRB P10828 1/20 0.36
SLC2A1 P11166 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6091171 0.99 KDM4E (0.39) KDM4EPPARGRXFP1IRAK4ALDH1A1
SCHEMBL6093291 0.99 KDM4E (0.39) KDM4EPPARGRXFP1IRAK4ALDH1A1
SCHEMBL6093287 0.93 KDM4E (0.37) KDM4EPPARGRXFP1IRAK4ALDH1A1
SCHEMBL6092717 0.93 RXFP1 (0.40) PPARGRXFP1TP53
SCHEMBL6090174 0.92 TP53 (0.41) KDM4ERXFP1IRAK4PTGER1TP53
SCHEMBL6091080 0.87 HDAC1 (0.42) PPARGSLC2A1TP53
SCHEMBL6091713 0.86 YWHAH (0.40) PPARGALDH1A1YWHAHSLC2A1TP53
SCHEMBL6091726 0.85 YWHAH (0.41) PPARGALDH1A1YWHAHSLC2A1TP53
SCHEMBL6091727 0.84 YWHAH (0.40) PPARGALDH1A1YWHAHSLC2A1TP53
SCHEMBL6091457 0.83 GRIN1 (0.41) PPARGTP53

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 KDM4E 1962/4885PPARG 481/4885RXFP1 106/4885

“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.