SCHEMBL6404639

SCHEMBL6404639

Cc1ccc2c(NCC(O)(CC(C)(C)c3cccc4c3OCO4)C(F)(F)F)ccnc2n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.47
PGR P06401 7/20 0.39
NR3C2 P08235 4/20 0.33
AR P10275 1/20 0.31
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
DRD3 P35462 1/20 0.30
CNR1 P21554 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL4824963 0.81 NR3C1 (0.62) NR3C1PGRNR3C2DRD2HTR2A
SCHEMBL6408229 0.78 NR3C1 (0.42) NR3C1PGRNR3C2
SCHEMBL4735535 0.77 NR3C1 (0.53) NR3C1PGRNR3C2
SCHEMBL6405688 0.77 NR3C1 (0.43) NR3C1PGRNR3C2
SCHEMBL4628515 0.77 NR3C1 (0.45) NR3C1PGRNR3C2
SCHEMBL5800333 0.76 NR3C1 (0.73) NR3C1PGRNR3C2AR
SCHEMBL5800842 0.76 NR3C1 (0.52) NR3C1PGRNR3C2
SCHEMBL4822532 0.75 NR3C1 (0.61) NR3C1PGRNR3C2
SCHEMBL6169279 0.75 NR3C1 (0.61) NR3C1PGRNR3C2
SCHEMBL4628801 0.74 NR3C1 (0.44) NR3C1PGR

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-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-04-28 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-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents IL1B, NFKBIA, BBOX1 NR3C1 1483/4885PGR 3289/4885NR3C2 872/4885

“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.