SCHEMBL4416529

SCHEMBL4416529

CC1(C)CC(=O)c2ccc(-c3ccccc3Cl)cc21

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.69
▸ PDK2 Q15119 1/20 0.46
▸ CNR1 P21554 5/20 0.44
▸ CNR2 P34972 4/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.42
▸ RARB P10826 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36

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
SCHEMBL4429209 0.89 PGR (0.67) PGRPDK2CNR1CNR2
SCHEMBL4418587 0.85 PGR (0.70) PGRCNR1CNR2
SCHEMBL4421129 0.84 PGR (0.72) PGRCNR1CNR2
SCHEMBL4420953 0.83 PGR (0.77) PGRPDK2RARBRARGRXRA
SCHEMBL4420948 0.82 PGR (1.00) PGR
SCHEMBL4426105 0.81 PGR (0.78) PGRPDK2CNR1CNR2
SCHEMBL4418232 0.80 PGR (0.57) PGRPDK2RARBRARGRXRA
SCHEMBL4418534 0.79 PGR (1.00) PGRPDK2
SCHEMBL5118537 0.79 PDK2 (0.46) PGRPDK2TNKS2RARBRARG
SCHEMBL5118544 0.79 PDK2 (0.46) PGRPDK2TNKS2RARBRARG

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 2229/4885CNR1 92/4885
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS CYP19A1, PGR, NR5A1 PGR 2/4885PDK2 1470/4885CNR1 155/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 PGR 2/4885PDK2 1492/4885CNR1 163/4885

“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.

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