SCHEMBL6096701

SCHEMBL6096701

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
ABCB1 P08183 2/20 0.42
TDP2 O95551 1/20 0.40
PPARG P37231 2/20 0.40
PLA2G2A P14555 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MDM2 Q00987 1/20 0.39
MCL1 Q07820 1/20 0.39
ACKR3 P25106 1/20 0.38

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
SCHEMBL6091379 0.89 YWHAH (0.45) RXFP1ABCB1TP53MAPTADORA3
SCHEMBL6092460 0.87 RXFP1 (0.44) RXFP1ABCB1TDP2PPARGPLA2G2A
SCHEMBL6089483 0.84 TP53 (0.44) ABCB1PPARGTP53MDM2MCL1
SCHEMBL6091176 0.80 PTGES (0.43) PPARGTP53MAPTMDM2MCL1
SCHEMBL6090079 0.80 TP53 (0.42) PPARGTP53MDM2MCL1
SCHEMBL6091449 0.79 PTGES (0.42) PPARGTP53MAPTMDM2MCL1
SCHEMBL6091437 0.79 PTGES (0.42) PPARGTP53MAPTMDM2MCL1
SCHEMBL6091441 0.79 GRIN1 (0.41) RXFP1ABCB1PPARGTP53MAPT
SCHEMBL6090346 0.79 MAPT (0.42) RXFP1PPARGTP53MAPT
SCHEMBL6090994 0.77 TP53 (0.46) RXFP1TP53MAPTCSNK2A2CSNK2A1

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 RXFP1 106/4885ABCB1 1475/4885TDP2 2563/4885

“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.