SCHEMBL17728673

SCHEMBL17728673

CC1(C)CCC(n2ccnn2)=CC1O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.36
NOTUM Q6P988 8/20 0.34

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
SCHEMBL16321631 0.83 NOTUM (0.33) CYP17A1NOTUM
SCHEMBL17728508 0.76
SCHEMBL17728629 0.73 NOTUM (0.35) CYP17A1NOTUM
SCHEMBL16324422 0.73 CYP17A1 (0.32) CYP17A1
SCHEMBL16323932 0.72 CYP17A1 (0.36) CYP17A1
SCHEMBL16323410 0.69 CYP17A1 (0.40) CYP17A1NOTUM
SCHEMBL17728540 0.67 NOTUM (0.35) NOTUM
SCHEMBL27793766 0.64
SCHEMBL17728498 0.61 NOTUM (0.30) NOTUM
SCHEMBL17728484 0.59 NOTUM (0.37) CYP17A1NOTUM

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-9890139-B2 CYP17 inhibitors/antiandrogens ORION CORPORATION (FI) 2018-02-13 US disclosed
US-20160130254-A1 NOVEL CYP17 INHIBITORS/ANTIANDROGENS ORION CORPORATION (FI) 2016-05-12 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-20160130254-A1 NOVEL CYP17 INHIBITORS/ANTIANDROGENS CYP17A1, CYP19A1, CYP21A2 CYP17A1 1/4885NOTUM 299/4885

“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.