SCHEMBL4420977

SCHEMBL4420977

COc1cccc(-c2ccc3c(c2)C(C)(C)CC3=O)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.68
CHEK1 O14757 1/20 0.50
ALKBH3 Q96Q83 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
BRD4 O60885 1/20 0.46
BACE1 P56817 4/20 0.46
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CTSD P07339 2/20 0.44
TP53 P04637 2/20 0.44
MAOB P27338 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
SCHEMBL4420638 0.88 PGR (0.64) PGRALKBH3BACE1HDAC4HDAC8
SCHEMBL4420953 0.84 PGR (0.77) PGRBACE1CTSDMAOB
SCHEMBL388758 0.84 PGR (0.53) PGR
SCHEMBL4421269 0.81 PGR (1.00) PGRMAOB
SCHEMBL5124732 0.80 PGR (0.45) PGRCHEK1ALKBH3NCOA1NCOA3
SCHEMBL5124723 0.80 PGR (0.45) PGRCHEK1ALKBH3NCOA1NCOA3
SCHEMBL4418534 0.80 PGR (1.00) PGR
SCHEMBL4416999 0.78 PGR (0.68) PGRBRD4
SCHEMBL4417754 0.77 PGR (0.77) PGRALKBH3TP53MAOB
SCHEMBL4426130 0.77 PGR (0.67) PGRCHEK1

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 1/4885CHEK1 2588/4885ALKBH3 3595/4885
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS CYP19A1, PGR, NR5A1 PGR 2/4885CHEK1 3351/4885ALKBH3 4089/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 PGR 2/4885CHEK1 3517/4885ALKBH3 3877/4885

“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.