SCHEMBL6072852

SCHEMBL6072852

COc1ccccc1CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)O)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.52
SRD5A1 P18405 2/20 0.49
SRD5A2 P31213 2/20 0.48
KCNH2 Q12809 3/20 0.45

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
SCHEMBL13403371 0.85 SRD5A1 (0.49) ARSRD5A1SRD5A2KCNH2
SCHEMBL3506854 0.85 SRD5A1 (0.49) ARSRD5A1SRD5A2KCNH2
SCHEMBL3506851 0.85 SRD5A1 (0.49) ARSRD5A1SRD5A2KCNH2
SCHEMBL5339929 0.83 AR (0.58) ARSRD5A2KCNH2
SCHEMBL5247468 0.83 AR (0.58) ARSRD5A2KCNH2
SCHEMBL5212635 0.83 AR (0.66) ARSRD5A1SRD5A2KCNH2
SCHEMBL7080792 0.83 AR (0.66) ARSRD5A1SRD5A2KCNH2
SCHEMBL5214133 0.80 SRD5A1 (0.67) ARSRD5A1SRD5A2
SCHEMBL7076988 0.80 SRD5A1 (0.67) ARSRD5A1SRD5A2
SCHEMBL9748321 0.80 AR (0.55) ARSRD5A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287326-A1 17-Acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-12-21 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-20060287326-A1 17-Acetamido-4-azasteroid derivatives as androgen receptor modulators AR, NR5A1, NR3C1 AR 1/4885SRD5A1 12/4885SRD5A2 19/4885

“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.