SCHEMBL6412384

SCHEMBL6412384

Cc1ncc2c(NCC(O)(CC(C)(C)c3ccccc3)C(F)(F)F)cccc2n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.53
PGR P06401 4/20 0.47
NR3C2 P08235 2/20 0.40
CYP3A4 P08684 1/20 0.38
USP1 O94782 3/20 0.38
WDR48 Q8TAF3 3/20 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
SCHEMBL3650311 0.85 NR3C1 (0.71) NR3C1PGRNR3C2
SCHEMBL5777800 0.84 NR3C1 (0.67) NR3C1PGRNR3C2CYP3A4USP1
SCHEMBL3535960 0.84 NR3C1 (0.55) NR3C1PGRNR3C2USP1WDR48
SCHEMBL6408293 0.84 NR3C1 (0.77) NR3C1PGRNR3C2CYP3A4
SCHEMBL3649830 0.83 NR3C1 (0.69) NR3C1PGRNR3C2
SCHEMBL5798055 0.83 NR3C1 (0.56) NR3C1PGRNR3C2USP1WDR48
SCHEMBL6405034 0.81 NR3C1 (0.78) NR3C1PGRNR3C2
SCHEMBL6402666 0.81 NR3C1 (0.57) NR3C1PGRNR3C2USP1WDR48
SCHEMBL4817558 0.78 NR3C1 (0.66) NR3C1PGRNR3C2USP1WDR48
SCHEMBL6406127 0.76 NR3C1 (0.40) NR3C1PGRNR3C2CYP3A4

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.