SCHEMBL4417754

SCHEMBL4417754

Cc1ccc(-c2ccc3c(c2)C(C)(C)CC3=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.77
THRB P10828 1/20 0.43
PDK2 Q15119 1/20 0.41
RARA P10276 2/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
MAOB P27338 1/20 0.37
RXRA P19793 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALKBH3 Q96Q83 1/20 0.35
TDP2 O95551 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL3368868 0.87 PGR (0.69) PGRTHRBMAOBCYP2C19KDM4E
SCHEMBL4421269 0.87 PGR (1.00) PGRPDK2RARARARBRARG
SCHEMBL4420953 0.86 PGR (0.77) PGRTHRBPDK2RARARARB
SCHEMBL4426105 0.85 PGR (0.78) PGRPDK2MAOBTP53TDP2
SCHEMBL4420948 0.82 PGR (1.00) PGRALKBH3TDP2
SCHEMBL4420638 0.82 PGR (0.64) PGRPDK2RARARARBRARG
SCHEMBL4429216 0.82 PGR (0.65) PGRMAOBTDP2
SCHEMBL4419848 0.82 PGR (0.64) PGRTDP1
SCHEMBL4419225 0.82 PGR (0.78) PGRPDK2RXRATDP2
SCHEMBL4426124 0.81 PGR (0.62) PGRTDP2

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 1/4885THRB 64/4885PDK2 2229/4885
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS CYP19A1, PGR, NR5A1 PGR 2/4885THRB 86/4885PDK2 1470/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 PGR 2/4885THRB 110/4885PDK2 1492/4885

“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.