SCHEMBL4423880

SCHEMBL4423880

CC1(C)CC(=O)c2ccc(-c3ccc(C#N)cc3)cc21

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.80
PDK2 Q15119 1/20 0.44
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.41
OTUD7B Q6GQQ9 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GRM5 P41594 1/20 0.38
ALK Q9UM73 1/20 0.38
CTSD P07339 2/20 0.38
BACE1 P56817 2/20 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
SCHEMBL1091749 0.89 PGR (0.72) PGRPDK2MAOBPOLBGRM5
SCHEMBL4423015 0.89 PGR (1.00) PGRPDK2CTSDBACE1
SCHEMBL4422982 0.85 PGR (0.71) PGRBACE1
SCHEMBL4417754 0.81 PGR (0.77) PGRPDK2MAOBRARARARB
SCHEMBL4420953 0.81 PGR (0.77) PGRPDK2MAOBRARARARB
SCHEMBL4426615 0.80 PGR (0.64) PGR
SCHEMBL4430405 0.80 PGR (1.00) PGR
SCHEMBL9162554 0.80 PGR (0.59) PGRMAOBPOLBRARARARB
SCHEMBL4426105 0.80 PGR (0.78) PGRPDK2MAOB
SCHEMBL5109810 0.78 PGR (0.52) PGRPDK2OTUD7BRARARARB

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 1/4885PDK2 2229/4885MAOB 1296/4885
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS CYP19A1, PGR, NR5A1 PGR 2/4885PDK2 1470/4885MAOB 535/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 PGR 2/4885PDK2 1492/4885MAOB 479/4885

“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.