SCHEMBL1948752

SCHEMBL1948752

C[C@]12CC[C@@H]3[C@@H](CCC4NC(=O)CC[C@@]43C)[C@@H]1CC(O)C2

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.54
SRD5A1 P18405 3/20 0.53
AR P10275 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
SCHEMBL8134829 1.00 SRD5A2 (0.54) SRD5A2SRD5A1AR
SCHEMBL1949188 0.83 SRD5A1 (0.51) SRD5A2SRD5A1AR
SCHEMBL8127744 0.81 SRD5A2 (0.53) SRD5A2SRD5A1
SCHEMBL8132084 0.81 SRD5A2 (0.53) SRD5A2SRD5A1
SCHEMBL8127746 0.81 SRD5A2 (0.53) SRD5A2SRD5A1
SCHEMBL8721495 0.80 SRD5A1 (0.57) SRD5A2SRD5A1AR
SCHEMBL5682764 0.80 SRD5A2 (0.64) SRD5A2SRD5A1AR
SCHEMBL4269548 0.80 SRD5A2 (0.64) SRD5A2SRD5A1AR
SCHEMBL7596381 0.80 SRD5A1 (0.57) SRD5A2SRD5A1AR
SCHEMBL4269554 0.80 SRD5A2 (0.64) SRD5A2SRD5A1AR

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 4 patents. 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-20090123571-A1 Method of treating men with testosterone supplement and 5alpha-reductase inhibitor MERCK SHARP & DOHME CORP. 2009-05-14 US claimed
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-6143887-A REACTING A 16-METHYLSULFONATE-4-AZA-ANDROSTANONES WITH HYDROXY SUBSTITUTED AROMATIC OR HETEROAROMATIC COMPOUND AND CESIUM CARBONATE IN PRESENCE OF A POLAR APROTIC SOLVENT MERCK & CO., INC. (US) 2000-11-07 US 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-20090123571-A1 Method of treating men with testosterone supplement and 5alpha-reductase inhibitor ADRA1D, ADRB1, AGER SRD5A2 26/4885SRD5A1 17/4885AR 22/4885
US-20110136769-A1 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR ADRA1D, ADRB1, AGER SRD5A2 26/4885SRD5A1 17/4885AR 22/4885

“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.