SCHEMBL3288674

SCHEMBL3288674

COc1ccc2c(c1)CCC1=CC(=O)CC[C@@]12Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 1.00
NR3C1 P04150 7/20 0.71
BACE1 P56817 2/20 0.44
ACHE P22303 1/20 0.41
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
ESR2 Q92731 1/20 0.39

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
SCHEMBL3284563 1.00 AR (1.00) ARNR3C1BACE1ACHEMAOB
SCHEMBL12271712 0.93 AR (0.87) ARNR3C1BACE1GAASIGMAR1
SCHEMBL3910141 0.84 AR (0.72) ARNR3C1BACE1
SCHEMBL20874524 0.84 NR3C1 (0.75) ARNR3C1BACE1SIGMAR1ESR2
SCHEMBL20874523 0.84 NR3C1 (0.75) ARNR3C1BACE1SIGMAR1ESR2
SCHEMBL3284537 0.83 AR (1.00) ARNR3C1ESR2
SCHEMBL12272157 0.83 NR3C1 (0.74) ARNR3C1ESR2
SCHEMBL3292306 0.83 NR3C1 (0.74) ARNR3C1ESR2
SCHEMBL5424997 0.83 NR3C1 (0.74) ARNR3C1ESR2
SCHEMBL3291858 0.83 AR (1.00) ARNR3C1ESR2

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-7713989-B2 Glucocorticoid receptor modulators DOW ROBERT L 2010-05-11 US disclosed
US-20070117805-A1 Glucocorticoid receptor modulators PFIZER INC. 2007-05-24 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-20070117805-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R AR 84/4885NR3C1 1/4885BACE1 2952/4885

“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.