SCHEMBL3453564

SCHEMBL3453564

COC(=O)O[C@H]1CC=C2[C@H]3[C@H]([C@@H](C)C[C@@]21C)[C@H]1CCC(=O)C=C1C[C@H]3C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.52
▸ AR P10275 5/20 0.43
▸ PGR P06401 4/20 0.38
▸ NR3C2 P08235 1/20 0.32

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
SCHEMBL13125419 1.00 SHBG (0.52) SHBGARPGRNR3C2
SCHEMBL3452256 0.88 SHBG (0.46) SHBGARPGR
SCHEMBL3453517 0.86 AR (0.50) SHBGARPGR
SCHEMBL5325123 0.84 AR (0.64) SHBGARPGR
SCHEMBL5329105 0.82 SHBG (0.71) SHBGARPGRNR3C2
SCHEMBL6011908 0.82 SHBG (0.71) SHBGARPGRNR3C2
SCHEMBL13125422 0.82 SHBG (0.71) SHBGARPGRNR3C2
SCHEMBL5327817 0.81 AR (0.45) SHBGARPGR
SCHEMBL14569123 0.81 AR (0.45) SHBGARPGR
SCHEMBL5334484 0.81 AR (0.45) SHBGARPGR

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-7820642-B2 Nandrolone 17β-carbonates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-10-26 — — US disclosed
US-20080167283-A1 Nandrolone 17 Beta-Carbonates GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRE- SENTED BY THE SECRETARY, DEPA (US) 2008-07-10 — — 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-20080167283-A1 Nandrolone 17 Beta-Carbonates HSD3B1, HSD3B2, HSD17B7 SHBG 22/4885AR 90/4885PGR 82/4885

“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.

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