SCHEMBL5030883

SCHEMBL5030883

COC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](C(C)C[C@]12C)[C@H]1CCC(=O)C=C1C[C@@H]3C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.70
▸ PGR P06401 6/20 0.41
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NR3C2 P08235 2/20 0.37
▸ SHBG P04278 3/20 0.36
▸ SERPINA6 P08185 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ NR1I2 O75469 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL13125416 1.00 AR (0.70) ARPGRMAPTLMNANR3C2
SCHEMBL3452466 1.00 AR (0.70) ARPGRMAPTLMNANR3C2
SCHEMBL25863529 0.91 AR (0.70) ARPGRMAPTLMNANR3C2
SCHEMBL25863520 0.91 AR (0.70) ARPGRMAPTLMNANR3C2
SCHEMBL25863524 0.91 AR (0.78) ARPGRMAPTLMNANR3C2
SCHEMBL25863522 0.91 AR (0.78) ARPGRMAPTLMNANR3C2
SCHEMBL24102425 0.91 AR (0.72) ARPGRMAPTLMNANR3C2
SCHEMBL12355440 0.91 AR (0.72) ARPGRMAPTLMNANR3C2
SCHEMBL25863727 0.91 AR (0.72) ARPGRMAPTLMNANR3C2
SCHEMBL24102447 0.91 AR (0.72) ARPGRMAPTLMNANR3C2

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-20080167283-A1 Nandrolone 17 Beta-Carbonates GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRE- SENTED BY THE SECRETARY, DEPA (US) 2008-07-10 — — 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-20080167283-A1 Nandrolone 17 Beta-Carbonates HSD3B1, HSD3B2, HSD17B7 AR 90/4885PGR 82/4885MAPT 4749/4885

“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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