SCHEMBL2003302

SCHEMBL2003302

COc1ncc(F)cc1-c1ccc(C(C)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.39
SCN9A Q15858 2/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
SQOR Q9Y6N5 2/20 0.37
APP P05067 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM7 Q14831 1/20 0.36
NR3C1 P04150 2/20 0.36
PGR P06401 1/20 0.36
PIK3CA P42336 3/20 0.35
PIK3R1 P27986 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 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
SCHEMBL2004849 0.86 CIT (0.41) CTSASCN9AGPBAR1SQORGRM7
SCHEMBL2004333 0.77 SYK (0.45) CTSAGPBAR1SQORGRM7PIK3CA
SCHEMBL2006367 0.76 TNF (0.38) CTSASQORNR3C1
SCHEMBL2005877 0.75 TAAR1 (0.41) CTSASQORGRM7
SCHEMBL4970482 0.74 SQOR (0.45) CTSASCN9AGPBAR1SQORGRM7
SCHEMBL25224803 0.73 SCN9A (0.33) SCN9AGPBAR1PIK3CAPIK3R1POLQ
SCHEMBL15139877 0.73 SCN9A (0.33) SCN9AGPBAR1PIK3CAPIK3R1POLQ
SCHEMBL25275122 0.73 SCN9A (0.33) SCN9AGPBAR1PIK3CAPIK3R1POLQ
SCHEMBL16294143 0.72 SCN9A (0.43) SCN9AGRM7PIK3CA
SCHEMBL16113459 0.71 CTSA (0.44) CTSACYP11B1CYP11B2SQORPIK3CA

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 4 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
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 US disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO 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 CTSA 3923/4885SCN9A 1365/4885CYP11B1 33/4885

“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.