SCHEMBL5017877

SCHEMBL5017877

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)C(=O)CC[C@@H]3[C@@H]21

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.67
▸ AR P10275 6/20 0.65
▸ PGR P06401 5/20 0.58
▸ NR3C2 P08235 2/20 0.58
▸ SHBG P04278 1/20 0.52

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
SCHEMBL5157184 1.00 CYP19A1 (0.67) CYP19A1ARPGRNR3C2SHBG
SCHEMBL13216950 1.00 CYP19A1 (0.67) CYP19A1ARPGRNR3C2SHBG
SCHEMBL7080880 1.00 CYP19A1 (0.67) CYP19A1ARPGRNR3C2SHBG
SCHEMBL29008753 1.00 CYP19A1 (0.67) CYP19A1ARPGRNR3C2SHBG
SCHEMBL14342104 1.00 CYP19A1 (0.67) CYP19A1ARPGRNR3C2SHBG
SCHEMBL5974440 0.88 CYP19A1 (0.51) CYP19A1ARPGRNR3C2
SCHEMBL7618203 0.88 CYP19A1 (0.51) CYP19A1ARPGRNR3C2
SCHEMBL5973825 0.84 CYP19A1 (0.62) CYP19A1ARPGRNR3C2
SCHEMBL1656778 0.84 CYP19A1 (0.62) CYP19A1ARPGRNR3C2
SCHEMBL13809835 0.82 CYP19A1 (0.60) CYP19A1ARPGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343806-B1 METHYLENE STEROIDS AS NOVEL ANDROGENS ORGANON NV (NL) 2008-05-28 — — EP disclosed
US-6949531-B2 14 β, 16, 17-methylene steroids as novel androgens AKZO NOBEL N.V. (NL) 2005-09-27 — — US disclosed
US-20040030165-A1 14 Beta, 16, 17-methylene steroids as novel androgens MERCK SHARP & DOHME B.V. (NL) 2004-02-12 — — US disclosed
EP-1343806-A1 METHYLENE STEROIDS AS NOVEL ANDROGENS Akzo Nobel N.V. (NL) 2003-09-17 — — EP disclosed
WO-2002048171-A1 METHYLENE STEROIDS AS NOVEL ANDROGENS AKZO NOBEL N.V. (NL) 2002-06-20 — — WO 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-20040030165-A1 14 Beta, 16, 17-methylene steroids as novel androgens CYP17A1, HSD17B7, AR CYP19A1 21/4885AR 3/4885PGR 163/4885

“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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