SCHEMBL2005891

SCHEMBL2005891

COc1ncccc1-c1ccc(C(C)NC(=O)OC(C)(C)C)cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
SYK P43405 1/20 0.39
PPARA Q07869 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
RORC P51449 1/20 0.38
CTSK P43235 3/20 0.37
CTSS P25774 2/20 0.37
MAPK1 P28482 1/20 0.37
ACACB O00763 2/20 0.37
PTPN1 P18031 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL2005890 1.00 CA1 (0.40) CA1CA2ACHEMAPTATM
SCHEMBL2003425 0.79 PPARA (0.45) CA1CA2ACHEMAPTATM
SCHEMBL2003421 0.79 PPARA (0.45) CA1CA2ACHEMAPTATM
SCHEMBL2005461 0.79 NR3C1 (0.51) MAPTCTSKCTSSMAPK1
SCHEMBL2005456 0.79 NR3C1 (0.51) MAPTCTSKCTSSMAPK1
SCHEMBL2011438 0.79 LTA4H (0.42) MAPTCYP11B1CYP11B2FFAR1
SCHEMBL5236465 0.79 LTA4H (0.42) MAPTCYP11B1CYP11B2FFAR1
SCHEMBL5236458 0.72 APP (0.43) MAPTCYP11B1CYP11B2
SCHEMBL2009577 0.71 NR3C1 (0.46) CA1CA2ACHEMAPTRORC
SCHEMBL2996725 0.71 POLB (0.60) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R CA1 1913/4885CA2 1827/4885ACHE 2366/4885

“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.