SCHEMBL7080274

SCHEMBL7080274

COc1cccc(NC(=O)[C@@H]2CC[C@H]3[C@@H]4CC=C5N(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]23C)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 9/20 0.54
SRD5A2 P31213 7/20 0.49
AR P10275 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5214410 1.00 SRD5A1 (0.54) SRD5A1SRD5A2ARALDH1A1
SCHEMBL5214401 1.00 SRD5A1 (0.54) SRD5A1SRD5A2ARALDH1A1
SCHEMBL5214113 0.91 SRD5A1 (0.53) SRD5A1SRD5A2AR
SCHEMBL5214106 0.91 SRD5A1 (0.53) SRD5A1SRD5A2AR
SCHEMBL5211218 0.90 SRD5A1 (0.53) SRD5A1SRD5A2AR
SCHEMBL5211228 0.90 SRD5A1 (0.53) SRD5A1SRD5A2AR
SCHEMBL5214264 0.89 SRD5A1 (0.54) SRD5A1SRD5A2AR
SCHEMBL5214262 0.89 SRD5A1 (0.54) SRD5A1SRD5A2AR
SCHEMBL5213927 0.89 SRD5A2 (0.59) SRD5A1SRD5A2AR
SCHEMBL5213919 0.89 SRD5A2 (0.59) SRD5A1SRD5A2AR

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-6645974-B2 Administering an androstamide compound; osteoporosis, anticancer agents, glandular disorders MERCK & CO., INC. 2003-11-11 US claimed
US-20030065004-A1 Androgen receptor modulators and methods for use thereof MERCK SHARP & DOHME CORP. 2003-04-03 US claimed

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-20030065004-A1 Androgen receptor modulators and methods for use thereof AR, FSHR, SHBG SRD5A1 58/4885SRD5A2 80/4885AR 1/4885

“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.