SCHEMBL6841928

SCHEMBL6841928

CCOC1=CC2=CC[C@@H]3[C@H](CC[C@]4(CC)C(=O)CC[C@@H]34)[C@H]2CC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.47
HSD17B1 P14061 1/20 0.39
CYP19A1 P11511 17/20 0.36

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
SCHEMBL6841929 1.00 SRD5A2 (0.47) SRD5A2HSD17B1CYP19A1
SCHEMBL3356468 0.91 SRD5A2 (0.49) SRD5A2HSD17B1CYP19A1
SCHEMBL9222958 0.91 SRD5A2 (0.49) SRD5A2HSD17B1CYP19A1
SCHEMBL17591557 0.87 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL6379452 0.87 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL17831186 0.87 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL15079264 0.87 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL16337497 0.84 SRD5A2 (0.38) SRD5A2
SCHEMBL23397847 0.83 SRD5A2 (0.35) SRD5A2HSD17B1CYP19A1
SCHEMBL20851713 0.83 SRD5A2 (0.35) SRD5A2HSD17B1CYP19A1

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 17 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
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
EP-0582338-B1 17-Spiromethylene steroids AKZO NOBEL NV (NL) 1999-10-20 EP disclosed
US-5854235-A 17-spiromethylene steroids AKZO NOBEL N.V. (NL) 1998-12-29 US disclosed
US-5712264-A 17-spiromethylene steroids AKZO NOBEL N.V. (NL) 1998-01-27 US disclosed
EP-0582338-A2 17-Spiromethylene steroids Akzo Nobel N.V. (NL) 1994-02-09 EP disclosed
US-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 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 (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 SRD5A2 7/4885HSD17B1 15/4885CYP19A1 13/4885
US-20020022609-A1 Orally active androgens NR5A1, AR, CYP17A1 SRD5A2 7/4885HSD17B1 15/4885CYP19A1 13/4885
US-20040209853-A1 Orally active 7.alpha.-alkyl androgens NR5A1, AR, SHBG SRD5A2 6/4885HSD17B1 13/4885CYP19A1 11/4885

“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.