SCHEMBL2833264

SCHEMBL2833264

C#C[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.62
▸ LMNA P02545 6/20 0.62
▸ CYP3A4 P08684 5/20 0.62
▸ ABCB11 O95342 4/20 0.62
▸ CYP2C19 P33261 4/20 0.62
▸ ESR1 P03372 4/20 0.62
▸ SLC6A4 P31645 4/20 0.62
▸ NR3C1 P04150 3/20 0.62
▸ SHBG P04278 3/20 0.62
▸ TSHR P16473 3/20 0.62
▸ HIF1A Q16665 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ ADRA2A P08913 1/20 0.62
▸ AR P10275 7/20 0.61
▸ NR3C2 P08235 2/20 0.61
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ PDK1 Q15118 1/20 0.48

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
Gestadienol SCHEMBL931512 0.82 AR (0.65) PGRLMNACYP3A4CYP2C19NR3C1
SCHEMBL5974395 0.81 PGR (0.59) PGRLMNACYP3A4ABCB11CYP2C19
SCHEMBL4210007 0.81 PGR (0.63) PGRLMNACYP3A4ABCB11CYP2C19
SCHEMBL11644759 0.81 PGR (0.58) PGRLMNACYP3A4ABCB11CYP2C19
SCHEMBL11809654 0.79 PGR (0.64) PGRLMNACYP3A4ABCB11CYP2C19
SCHEMBL11680779 0.79 PGR (0.47) PGRLMNACYP3A4ABCB11CYP2C19
SCHEMBL984935 0.78 PGR (0.57) PGRLMNACYP3A4ABCB11CYP2C19
Norethindrone SCHEMBL24476231 0.77 CYP3A4 (1.00) PGRLMNACYP3A4ABCB11CYP2C19
Norethindrone SCHEMBL14074493 0.77 CYP3A4 (1.00) PGRLMNACYP3A4ABCB11CYP2C19
Norethindrone SCHEMBL23390 0.77 CYP3A4 (1.00) PGRLMNACYP3A4ABCB11CYP2C19

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204497-A1 Process For The Preparation of 7 alpha-Methylsteroids N.V. ORGANON 2010-08-12 — — US disclosed
EP-1470151-B1 PROCESS FOR THE PREPARATION OF 7-ALPHA-METHYLSTEROIDS ORGANON NV (NL) 2009-12-30 — — EP disclosed
EP-1237904-B1 14,15-BETA-METHYLENE SUBSTITUTED ANDROGENS AKZO NOBEL NV (NL) 2006-02-08 — — EP disclosed
US-20050090476-A1 Process for the preparation of 7alpha-methylsteroids MERCK SHARP & DOHME B.V. (NL) 2005-04-28 — — US disclosed
EP-1470151-A1 PROCESS FOR THE PREPARATION OF 7-ALPHA-METHYLSTEROIDS Akzo Nobel N.V. (NL) 2004-10-27 — — EP disclosed
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
US-20040059140-A1 14(15)-unsaturated 15- and/or 16-substituted androgens with mixed androgen-progrestational profile VAN DER LOUW JAPP (NL) 2004-03-25 — — US disclosed
US-6706700-B2 NOVEL STEROIDS CONTAINING A 14 BETA ,15 BETA - CYCLOPROPANE RING AND A 17 ALPHA HYDROXYMETHYL GROUP; MALE CONTRACEPTIVES AKZO-NOBEL, N.V. (NL) 2004-03-16 — — US disclosed
US-20030100543-A1 Novel steroids containing a 14 beta ,15 beta - cyclopropane ring and a 17 alpha hydroxymethyl group; male contraceptives N.V. ORGANON (NL) 2003-05-29 — — US 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
WO-2002048169-A1 14(15)-UNSATURATED 15- AND/OR 16- SUBSTITUTED ANDROGENS WITH MIXED ANDROGEN-PROGESTATIONAL PROFILE AKZO NOBEL N.V. (NL) 2002-06-20 — — WO 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 (7 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-20050090476-A1 Process for the preparation of 7alpha-methylsteroids CYP17A1, CYP21A2, HSD17B7 PGR 230/4885LMNA 2326/4885CYP3A4 69/4885
US-20100204497-A1 Process For The Preparation of 7 alpha-Methylsteroids CYP17A1, CYP21A2, HSD17B7 PGR 229/4885LMNA 2421/4885CYP3A4 71/4885
US-20030087886-A1 Orally active androgens NR5A1, AR, CYP17A1 PGR 86/4885LMNA 2749/4885CYP3A4 99/4885
US-20030100543-A1 Novel steroids containing a 14 beta ,15 beta - cyclopropane ring and a 17 alpha hydroxymethyl group; male contraceptives CYP17A1, HSD17B11, HSD17B7 PGR 134/4885LMNA 3289/4885CYP3A4 160/4885
US-20020022609-A1 Orally active androgens NR5A1, AR, CYP17A1 PGR 84/4885LMNA 2728/4885CYP3A4 100/4885
US-20040059140-A1 14(15)-unsaturated 15- and/or 16-substituted androgens with mixed androgen-progrestational profile HSD17B11, CYP17A1, SHBG PGR 11/4885LMNA 2074/4885CYP3A4 173/4885
US-20040209853-A1 Orally active 7.alpha.-alkyl androgens NR5A1, AR, SHBG PGR 151/4885LMNA 2933/4885CYP3A4 93/4885

“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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