SCHEMBL6853055

SCHEMBL6853055

CC(=O)OCCC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@H]12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.51
AR P10275 6/20 0.44
PGR P06401 5/20 0.44
NR3C2 P08235 2/20 0.44
SERPINA6 P08185 1/20 0.40

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
SCHEMBL7030182 0.96 CYP19A1 (0.49) CYP19A1ARPGRNR3C2SERPINA6
SCHEMBL9626851 0.96 CYP19A1 (0.49) CYP19A1ARPGRNR3C2SERPINA6
SCHEMBL7020267 0.84 CYP19A1 (0.55) CYP19A1ARPGRNR3C2SERPINA6
SCHEMBL9627682 0.84 CYP19A1 (0.55) CYP19A1ARPGRNR3C2SERPINA6
SCHEMBL13809835 0.83 CYP19A1 (0.60) CYP19A1ARPGRNR3C2
SCHEMBL4265902 0.83 AR (0.61) CYP19A1ARPGRNR3C2SERPINA6
SCHEMBL7027408 0.82 CYP19A1 (0.55) CYP19A1ARPGRNR3C2
SCHEMBL6851958 0.82 PGR (0.58) ARPGRNR3C2
SCHEMBL7796339 0.82 CYP19A1 (0.48) CYP19A1
SCHEMBL6912936 0.81 CYP19A1 (0.37) CYP19A1ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780854-B2 MALE CONTRACEPTION AKZO NOBEL NV (NL) 2004-08-24 US disclosed
EP-1203011-B1 ORALLY ACTIVE ANDROGENS AKZO NOBEL NV (NL) 2004-01-02 EP disclosed
US-20030087886-A1 Orally active androgens LOOZEN HUBERT JAN JOZEF (NL) 2003-05-08 US disclosed
US-6541465-B2 Delta 14 derivatives of 19- nortestosterone, useful for the preparation of a medicine for treating androgen insufficiency AKZO NOBEL N.V. (NL) 2003-04-01 US disclosed
EP-1203011-A1 ORALLY ACTIVE ANDROGENS Akzo Nobel N.V. (NL) 2002-05-08 EP disclosed
US-20020022609-A1 Orally active androgens LOOZEN HUBERT JAN JOZEF (NL) 2002-02-21 US disclosed
US-6313108-B1 TREATING ANDROGEN INSUFFICIENCY AKZO NOBEL N.V. (NL) 2001-11-06 US disclosed
WO-2001005806-A1 ORALLY ACTIVE ANDROGENS AKZO NOBEL N.V. (NL) 2001-01-25 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 (2 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-20030087886-A1 Orally active androgens NR5A1, AR, CYP17A1 CYP19A1 13/4885AR 2/4885PGR 86/4885
US-20020022609-A1 Orally active androgens NR5A1, AR, CYP17A1 CYP19A1 13/4885AR 2/4885PGR 84/4885

“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.