SCHEMBL950331

SCHEMBL950331

C[C@@]12CCC[C@H]1[C@@H]1CCC3NC(=O)C=C[C@]3(C)[C@@H]1CC2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 9/20 0.53
SRD5A2 P31213 9/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ABCC4 O15439 1/20 0.53
ABCB11 O95342 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
HSD3B1 P14060 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL950330 1.00 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL790657 1.00 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
Imidazole SCHEMBL9187249 0.88 SRD5A2 (0.45) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL6673554 0.85 SRD5A1 (0.42) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8059923 0.81 SRD5A1 (0.48) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8135268 0.81 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8135264 0.81 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL4263946 0.80 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL4263941 0.80 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7901226 0.79 SRD5A1 (0.55) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872135-B2 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds SIEGFRIED LTD. (CH) 2011-01-18 US claimed
EP-1523490-B1 METHOD FOR INTRODUCING A 1,2 DOUBLE BOND INTO 3-OXO-4-AZASTEROID COMPOUNDS SIEGFRIED GENERICS INT AG (CH) 2009-12-23 EP claimed
US-20060100434-A1 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds SIEGFRIED LTD. (CH) 2006-05-11 US claimed
EP-1335930-B1 Process for the preparation of 3-oxo-4-azasteroids GLAXO GROUP LTD (GB) 2004-10-13 EP claimed
US-6794508-B2 Process SMITHKLINE BEECHAM CORPORATION 2004-09-21 US claimed
US-20040049042-A1 Process SMITHKLINE BEECHAM CORPORATION 2004-03-11 US claimed
EP-1335930-A2 PROCESS GLAXO GROUP LIMITED (GB) 2003-08-20 EP claimed
WO-2002046207-A2 PROCESS GLAXO GROUP LIMITED (GB) 2002-06-13 WO claimed
EP-0862556-A4 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO INC (US) 1999-02-03 EP claimed
EP-0862556-A1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES Merck & Co., Inc. (US) 1998-09-09 EP claimed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO claimed
WO-1997015558-A1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO., INC. (US) 1997-05-01 WO claimed
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. 1995-05-03 EP claimed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 EP claimed
US-8591874-B2 Inhibition of mammalian hair growth THE PROCTER & GAMBLE COMPANY (US) 2013-11-26 US disclosed
US-8481015-B2 Applying agmatine and a dermatologically acceptable carrier to the skin; inhibiting hair growth THE PROCTER & GAMBLE COMPANY (US) 2013-07-09 US disclosed
US-7872135-B2 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds SIEGFRIED LTD. (CH) 2011-01-18 US disclosed
US-4760071-A Enzyme inhibitor MERCK & CO., INC. (US) 1988-07-26 US disclosed
EP-0271219-A1 Topical pharmaceutical composition containing 17-beta-methoxycarbonyl-4-methyl-4-aza-5-alpha-androst-1-en-3-one MERCK & CO. INC. (US) 1988-06-15 EP disclosed
EP-0155096-A2 17 Beta-Substituted-4-aza-5-alpha-androstenones and their use as 5-alpha-reductase inhibitors MERCK & CO. INC. (US) 1985-09-18 EP 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-20060100434-A1 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds NR3C2, NR5A1, CYP11B1 SRD5A1 14/4885SRD5A2 7/4885LMNA 1712/4885
US-20040049042-A1 Process SRD5A2, SRD5A1, HSD3B1 SRD5A1 2/4885SRD5A2 1/4885LMNA 4692/4885

“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.