SCHEMBL13611190

SCHEMBL13611190

COC(=O)C1CCC2C3CC4(CC4)C4NC(=O)CCC4(C)C3CCC12C

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.50
AR P10275 1/20 0.46
SRD5A1 P18405 1/20 0.46

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
SCHEMBL13603644 1.00 SRD5A2 (0.50) SRD5A2ARSRD5A1
SCHEMBL13611185 0.88 SRD5A2 (0.49) SRD5A2ARSRD5A1
SCHEMBL13603625 0.88 SRD5A2 (0.49) SRD5A2ARSRD5A1
SCHEMBL5906987 0.81 SRD5A2 (0.69) SRD5A2ARSRD5A1
SCHEMBL14355642 0.81 SRD5A2 (0.69) SRD5A2ARSRD5A1
SCHEMBL13970806 0.81 SRD5A2 (0.69) SRD5A2ARSRD5A1
SCHEMBL14477870 0.81 SRD5A2 (0.69) SRD5A2ARSRD5A1
SCHEMBL5273346 0.81 SRD5A2 (0.69) SRD5A2ARSRD5A1
SCHEMBL5273343 0.81 SRD5A2 (0.69) SRD5A2ARSRD5A1
SCHEMBL13950495 0.81 SRD5A2 (0.69) SRD5A2ARSRD5A1

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-7625919-B2 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-05-29 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-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators AR, CYP17A1, SHBG SRD5A2 20/4885AR 1/4885SRD5A1 18/4885

“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.