SCHEMBL6090466

SCHEMBL6090466

CCC(CC)(c1ccc(F)cc1)c1c[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNA2 P51530 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
NR3C1 P04150 3/20 0.39
PGR P06401 3/20 0.39
NR3C2 P08235 3/20 0.39
AR P10275 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FBP1 P09467 3/20 0.38
CLK1 P49759 2/20 0.38
DYRK1A Q13627 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PARP1 P09874 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.34

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
SCHEMBL6089244 0.79 NR3C1 (0.39) NR3C1PGRNR3C2ARMAPT
SCHEMBL6091511 0.79 NR3C1 (0.40) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL6089364 0.78 NR3C1 (0.39) NR3C1PGRNR3C2ARMAPT
SCHEMBL6091351 0.78 NR3C1 (0.48) NR3C1PGRNR3C2AR
SCHEMBL6091991 0.77 AR (0.38) NR3C1PGRNR3C2AR
SCHEMBL6090483 0.76 NR3C1 (0.43) NR3C1PGRNR3C2ARL3MBTL1
SCHEMBL6088649 0.76 GAA (0.37) L3MBTL1FBP1TDP1ALDH1A1SMN1; SMN2
SCHEMBL6090427 0.75 NR3C1 (0.67) NR3C1PGRNR3C2AR
SCHEMBL6090628 0.68 GPR84 (0.47) KMT2A
SCHEMBL28312938 0.68 MAPT (0.57) DNA2CASP6CTDSP1MAPTMAPK1

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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R DNA2 4582/4885CASP6 4795/4885CTDSP1 3640/4885

“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.