SCHEMBL916924

SCHEMBL916924

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 18/20 1.00
SRD5A2 P31213 17/20 1.00

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
SCHEMBL916926 1.00 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL8931534 1.00 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL8698267 1.00 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL29566189 1.00 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL5436410 1.00 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL7377158 0.90 SRD5A1 (0.82) SRD5A1SRD5A2
SCHEMBL8348117 0.90 SRD5A1 (0.82) SRD5A1SRD5A2
SCHEMBL7377153 0.90 SRD5A1 (0.82) SRD5A1SRD5A2
SCHEMBL8931508 0.89 SRD5A1 (0.81) SRD5A1SRD5A2
SCHEMBL916892 0.89 SRD5A1 (0.81) SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371367-A1 Method of treating men with testosterone supplement and 5alpha reductase inhibitor MERCK SHARP & DOHME (I.A.) CORP. (US) 2011-10-05 EP claimed
US-20110136769-A1 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR MERCK SHARP & DOHME CORP. (US) 2011-06-09 US claimed
US-20110092470-A1 METHOD OF TREATING MEN WITH ERECTILE DYSFUNCTION MEEHAN ALAN 2011-04-21 US claimed
EP-2305352-A1 5-alpha-reductase inhibitors for use in the treatment of men with metabolic and anthropometric disorders Merck Sharp & Dohme Corp. (US) 2011-04-06 EP claimed
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MEEHAN ALAN 2011-01-20 US claimed
EP-1865955-A4 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR MERCK & CO INC (US) 2009-04-15 EP claimed
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders MERCK & CO., INC. (US) 2008-05-29 US claimed
EP-1865955-A2 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR Merck & Co., Inc. (US) 2007-12-19 EP claimed
WO-2006104762-A2 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 2006-10-05 WO claimed
US-5872126-A ENZYME INHIBITORS FOR TREATMENT OF PREMATURE LABOR MERCK & CO., INC. (US) 1999-02-16 US claimed
US-5585383-A SKIN DISORDERS; ALOPECIA; CRYSTALLIZATION FROM A OIL MERCK & CO., INC. (US) 1996-12-17 US claimed
US-5543417-A 5 Alpha-reductase inhibitor and at least one of an antibacterial agent, a keratolytic agent or an anti-inflammatory agent MERCK & CO., INC. (US) 1996-08-06 US claimed
WO-1996012705-A1 7-SUBSTITUTED 4-AZA CHOLANIC ACID DERIVATIVES AND THEIR USE MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
US-5512555-A Method of treating sweat-related conditions using finasteride, epristeride and a cholestan-3-one MERCK & CO., INC. (US) 1996-04-30 US claimed
WO-1996008239-A1 USE OF 5-ALPHA-REDUCTASE INHIBITORS TO INCREASE HDL CHOLESTEROL LEVELS MERCK & CO., INC. (US) 1996-03-21 WO claimed
WO-1996003129-A1 METHOD OF TREATING SWEAT-RELATED CONDITIONS MERCK & CO., INC. (US) 1996-02-08 WO claimed
WO-1995013815-A1 COMBINATION METHOD FOR THE TREATMENT OF PATTERNED ALOPECIA MERCK & CO., INC. (US) 1995-05-26 WO claimed
WO-1995013077-A1 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-3-ONES AS SELECTIVE 5α-REDUCTASE 1 INHIBITORS MERCK & CO., INC. (US) 1995-05-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110136769-A1 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR ADRA1D, ADRB1, AGER SRD5A1 17/4885SRD5A2 26/4885
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS CYP17A1, SHBG, CYP21A2 SRD5A1 10/4885SRD5A2 4/4885
US-20110092470-A1 METHOD OF TREATING MEN WITH ERECTILE DYSFUNCTION ADRA1D, ADRB1, AGER SRD5A1 37/4885SRD5A2 53/4885
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders CYP17A1, SHBG, CYP21A2 SRD5A1 10/4885SRD5A2 4/4885

“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.