SCHEMBL4422982

SCHEMBL4422982

CC1(C)CC(=O)c2ccc(-c3cc(F)cc(C#N)c3)cc21

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 19/20 0.71
AR P10275 2/20 0.56
NR3C1 P04150 1/20 0.56
NR3C2 P08235 1/20 0.56
BACE1 P56817 1/20 0.46

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
SCHEMBL4423880 0.85 PGR (0.80) PGRBACE1
SCHEMBL4423015 0.83 PGR (1.00) PGRARBACE1
SCHEMBL5117908 0.82 PGR (0.49) PGRARNR3C1NR3C2BACE1
SCHEMBL5117905 0.82 PGR (0.49) PGRARNR3C1NR3C2BACE1
SCHEMBL6766187 0.81 PGR (0.71) PGRARNR3C1NR3C2
SCHEMBL1091749 0.78 PGR (0.72) PGR
SCHEMBL6769755 0.76 PGR (0.66) PGRARNR3C1NR3C2
SCHEMBL4429216 0.76 PGR (0.65) PGRARNR3C1NR3C2
SCHEMBL13707060 0.74 CYP2C19 (0.47) PGRARNR3C1NR3C2
SCHEMBL3526703 0.73 PGR (1.00) PGRARNR3C1NR3C2

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-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-12-31 US disclosed
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators WYETH (US) 2008-05-22 US disclosed
US-7319152-B2 Contraception, hormone replacement therapy, cycle-related symptoms, or benign or malignant neoplastic disease; -methyl-5-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrrole-2-carbonitrile WYETH (US) 2008-01-15 US disclosed
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 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 (3 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-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators PGR, CYP19A1, GNRHR PGR 1/4885AR 38/4885NR3C1 55/4885
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS CYP19A1, PGR, NR5A1 PGR 2/4885AR 96/4885NR3C1 61/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 PGR 2/4885AR 115/4885NR3C1 54/4885

“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.