SCHEMBL6841813

SCHEMBL6841813

C=CCC1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.69
SHBG P04278 2/20 0.60
SERPINA6 P08185 2/20 0.60
SLC22A1 O15245 1/20 0.60
ALDH1A1 P00352 1/20 0.60
THRB P10828 1/20 0.60
CYP19A1 P11511 2/20 0.56
CYP3A4 P08684 4/20 0.52
ESR2 Q92731 2/20 0.48
PGR P06401 4/20 0.45
NR3C2 P08235 2/20 0.45
NR3C1 P04150 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
SCHEMBL9799432 1.00 AR (0.69) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24102603 0.87 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6241583 0.87 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24102607 0.87 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6836662 0.87 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6841921 0.87 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL5026470 0.86 AR (0.72) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL16875673 0.86 AR (0.72) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL17302821 0.86 AR (0.72) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6836638 0.85 AR (0.71) ARSHBGSERPINA6SLC22A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209853-A1 Orally active 7.alpha.-alkyl androgens AKZO NOBEL N.V. (NL) 2004-10-21 US disclosed
US-6780854-B2 MALE CONTRACEPTION AKZO NOBEL NV (NL) 2004-08-24 US disclosed
US-6756366-B1 19-NORTESTOSTERONE DERIVATIVES; ORALLY ACTIVE; HIGH POTENCY AKZO NOBEL N.V. (NL) 2004-06-29 US disclosed
EP-1203011-B1 ORALLY ACTIVE ANDROGENS AKZO NOBEL NV (NL) 2004-01-02 EP disclosed
EP-1212345-B1 ORALLY ACTIVE 7-ALPHA-ALKYL ANDROGENS AKZO NOBEL NV (NL) 2003-08-06 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-1212345-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS Akzo Nobel N.V. (NL) 2002-06-12 EP 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
WO-2000059920-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS AKZO NOBEL N.V. (NL) 2000-10-12 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 (3 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 AR 2/4885SHBG 8/4885SERPINA6 268/4885
US-20020022609-A1 Orally active androgens NR5A1, AR, CYP17A1 AR 2/4885SHBG 8/4885SERPINA6 274/4885
US-20040209853-A1 Orally active 7.alpha.-alkyl androgens NR5A1, AR, SHBG AR 2/4885SHBG 3/4885SERPINA6 466/4885

“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.