SCHEMBL5110100

SCHEMBL5110100

CC1(C)CC(=NO)c2ccc(-c3cccc(C#N)c3)cc21

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.67
PDK2 Q15119 1/20 0.47
BACE1 P56817 5/20 0.42
CTSD P07339 3/20 0.42
AR P10275 1/20 0.42
CHEK1 O14757 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.40
PTPN5 P54829 1/20 0.39

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
SCHEMBL5110090 1.00 PGR (0.67) PGRPDK2BACE1CTSDAR
SCHEMBL5109807 0.90 PGR (0.52) PGRPDK2
SCHEMBL5109810 0.90 PGR (0.52) PGRPDK2
SCHEMBL5117905 0.84 PGR (0.49) PGRBACE1AR
SCHEMBL5117908 0.84 PGR (0.49) PGRBACE1AR
SCHEMBL5114381 0.84 PGR (0.48) PGRPDK2
SCHEMBL5114379 0.84 PGR (0.48) PGRPDK2
SCHEMBL5118108 0.82 PGR (0.64) PGRPDK2
SCHEMBL5118116 0.82 PGR (0.64) PGRPDK2
SCHEMBL4423015 0.81 PGR (1.00) PGRPDK2BACE1CTSDAR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414142-B2 5-aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators WYETH (US) 2008-08-19 US disclosed
US-20070066637-A1 5-Aryl-indan-1-one oximes 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 (1 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-20070066637-A1 5-Aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators CYP19A1, PGR, GNRHR PGR 2/4885PDK2 1808/4885BACE1 3895/4885

“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.