SCHEMBL916356

SCHEMBL916356

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C(F)(F)F)C=C4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 14/20 0.78
SRD5A2 P31213 14/20 0.78
RORA P35398 2/20 0.50
RORC P51449 2/20 0.50
GPR183 P32249 1/20 0.50
NPC1L1 Q9UHC9 1/20 0.50
USP2 O75604 1/20 0.49

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
SCHEMBL8931509 1.00 SRD5A1 (0.78) SRD5A1SRD5A2RORARORCGPR183
SCHEMBL917098 0.88 SRD5A1 (1.00) SRD5A1SRD5A2RORARORCGPR183
SCHEMBL8333047 0.88 SRD5A1 (1.00) SRD5A1SRD5A2RORARORCGPR183
SCHEMBL8332687 0.85 SRD5A2 (1.00) SRD5A1SRD5A2RORARORCGPR183
SCHEMBL917735 0.85 SRD5A2 (1.00) SRD5A1SRD5A2RORARORCGPR183
SCHEMBL915575 0.84 SRD5A2 (1.00) SRD5A1SRD5A2RORARORCGPR183
SCHEMBL8331858 0.84 SRD5A2 (1.00) SRD5A1SRD5A2RORARORCGPR183
SCHEMBL8931537 0.82 SRD5A2 (0.81) SRD5A1SRD5A2RORARORCGPR183
SCHEMBL916428 0.82 SRD5A2 (0.81) SRD5A1SRD5A2RORARORCGPR183
SCHEMBL17817393 0.79 SRD5A1 (1.00) SRD5A1SRD5A2RORCUSP2

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 38 patents. 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
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
EP-1734963-A4 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO INC (US) 2008-06-18 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
EP-1734963-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS Merck & Co., Inc. (US) 2006-12-27 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
WO-2005097127-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO., INC. (US) 2005-10-20 WO claimed
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 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-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-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
US-20110136769-A1 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR MERCK SHARP & DOHME CORP. (US) 2011-06-09 US disclosed
US-20110092470-A1 METHOD OF TREATING MEN WITH ERECTILE DYSFUNCTION MEEHAN ALAN 2011-04-21 US disclosed
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 disclosed
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MEEHAN ALAN 2011-01-20 US disclosed
US-20090123571-A1 Method of treating men with testosterone supplement and 5alpha-reductase inhibitor MERCK SHARP & DOHME CORP. 2009-05-14 US disclosed
EP-1734963-A4 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO INC (US) 2008-06-18 EP disclosed
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders MERCK & CO., INC. (US) 2008-05-29 US disclosed
EP-1734963-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS Merck & Co., Inc. (US) 2006-12-27 EP disclosed
WO-2005097127-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO., INC. (US) 2005-10-20 WO disclosed
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 EP disclosed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP disclosed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP disclosed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP disclosed
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 disclosed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO disclosed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO disclosed
WO-1995013815-A1 COMBINATION METHOD FOR THE TREATMENT OF PATTERNED ALOPECIA MERCK & CO., INC. (US) 1995-05-26 WO 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
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 SRD5A1 17/4885SRD5A2 26/4885RORA 758/4885
US-20110136769-A1 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR ADRA1D, ADRB1, AGER SRD5A1 17/4885SRD5A2 26/4885RORA 758/4885
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS CYP17A1, SHBG, CYP21A2 SRD5A1 10/4885SRD5A2 4/4885RORA 696/4885
US-20110092470-A1 METHOD OF TREATING MEN WITH ERECTILE DYSFUNCTION ADRA1D, ADRB1, AGER SRD5A1 37/4885SRD5A2 53/4885RORA 705/4885
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders CYP17A1, SHBG, CYP21A2 SRD5A1 10/4885SRD5A2 4/4885RORA 696/4885

“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.