SCHEMBL4423015

SCHEMBL4423015

CC1(C)CC(=O)c2ccc(-c3cccc(C#N)c3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 1.00
BACE1 P56817 5/20 0.49
CTSD P07339 4/20 0.49
CHEK1 O14757 1/20 0.49
PDK2 Q15119 1/20 0.47
AR P10275 1/20 0.44
NSD2 O96028 1/20 0.43

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 0.89 PGR (0.80) PGRBACE1CTSDPDK2
SCHEMBL1091749 0.84 PGR (0.72) PGRPDK2NSD2
SCHEMBL4422982 0.83 PGR (0.71) PGRBACE1AR
SCHEMBL4420953 0.82 PGR (0.77) PGRBACE1CTSDPDK2
SCHEMBL5110090 0.81 PGR (0.67) PGRBACE1CTSDCHEK1PDK2
SCHEMBL5110100 0.81 PGR (0.67) PGRBACE1CTSDCHEK1PDK2
SCHEMBL4421269 0.80 PGR (1.00) PGRPDK2
SCHEMBL6769277 0.79 PGR (0.67) PGRBACE1CTSDCHEK1AR
SCHEMBL4418534 0.79 PGR (1.00) PGRPDK2
SCHEMBL4426615 0.78 PGR (0.64) PGR

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 1/4885BACE1 4207/4885CTSD 4367/4885
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS CYP19A1, PGR, NR5A1 PGR 2/4885BACE1 4154/4885CTSD 4633/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 PGR 2/4885BACE1 4037/4885CTSD 4682/4885

“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.