SCHEMBL916929

SCHEMBL916929

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](CC(=O)O)CC4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 11/20 0.81
▸ SRD5A1 P18405 10/20 0.81
▸ CDC25A P30304 5/20 0.57
▸ FNTA P49354 4/20 0.55
▸ FNTB P49356 4/20 0.55
▸ CDC45 O75419 1/20 0.52
▸ PTPRC P08575 1/20 0.52

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
SCHEMBL812015 1.00 SRD5A2 (0.81) SRD5A2SRD5A1CDC25AFNTAFNTB
SCHEMBL916930 1.00 SRD5A2 (0.81) SRD5A2SRD5A1CDC25AFNTAFNTB
SCHEMBL1587376 0.91 SRD5A2 (0.84) SRD5A2SRD5A1FNTAFNTB
SCHEMBL8931523 0.91 SRD5A2 (0.84) SRD5A2SRD5A1FNTAFNTB
SCHEMBL913647 0.91 SRD5A2 (0.84) SRD5A2SRD5A1FNTAFNTB
SCHEMBL913644 0.91 SRD5A2 (0.84) SRD5A2SRD5A1FNTAFNTB
SCHEMBL918268 0.90 SRD5A1 (0.86) SRD5A2SRD5A1
SCHEMBL918267 0.90 SRD5A1 (0.86) SRD5A2SRD5A1
SCHEMBL917095 0.90 SRD5A2 (1.00) SRD5A2SRD5A1FNTAFNTB
SCHEMBL8931520 0.90 SRD5A1 (0.86) SRD5A2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090123571-A1 Method of treating men with testosterone supplement and 5alpha-reductase inhibitor MERCK SHARP & DOHME CORP. 2009-05-14 — — 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
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 — — EP claimed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 — — EP claimed
EP-0572165-B1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO INC (US) 1997-09-17 — — EP claimed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 — — EP claimed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 — — EP 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
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
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 disclosed
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 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 (5 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-20090123571-A1 Method of treating men with testosterone supplement and 5alpha-reductase inhibitor ADRA1D, ADRB1, AGER SRD5A2 26/4885SRD5A1 17/4885CDC25A 3394/4885
US-20110136769-A1 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR ADRA1D, ADRB1, AGER SRD5A2 26/4885SRD5A1 17/4885CDC25A 3394/4885
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS CYP17A1, SHBG, CYP21A2 SRD5A2 4/4885SRD5A1 10/4885CDC25A 4347/4885
US-20110092470-A1 METHOD OF TREATING MEN WITH ERECTILE DYSFUNCTION ADRA1D, ADRB1, AGER SRD5A2 53/4885SRD5A1 37/4885CDC25A 3541/4885
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders CYP17A1, SHBG, CYP21A2 SRD5A2 4/4885SRD5A1 10/4885CDC25A 4347/4885

“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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