SCHEMBL4263941

SCHEMBL4263941

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 10/20 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
SCHEMBL4263946 1.00 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL5421976 0.84 SRD5A1 (0.49) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL950331 0.80 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL950330 0.80 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL790657 0.80 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL13495829 0.79 SRD5A1 (0.64) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL5109031 0.79 SRD5A1 (0.64) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL6401740 0.79 SRD5A1 (0.58) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL16488278 0.79 SRD5A1 (0.64) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL25247958 0.78 SRD5A1 (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605152-B2 17-hydroxy-4-aza-androstan-3-ones as androgen receptor modulators MERCK & CO., INC. (US) 2009-10-20 US disclosed
US-20050107416-A1 17-hydroxy 4-aza androstan -3-ones as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-05-19 US disclosed
EP-0478068-A2 New process for making 17-beta alkanoyl 3-oxo-4-aza-5-alpha-androst-1-enes MERCK & CO. INC. (US) 1992-04-01 EP disclosed
US-5061803-A Reacting methyl 3-oxy-4-aza-5-alpha-androst-1-ene-17-beta carboxylate with grignard reagent in presence of hexamethyldisilazane MERCK & CO., INC. (US) 1991-10-29 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 (1 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-20050107416-A1 17-hydroxy 4-aza androstan -3-ones as androgen receptor modulators SHBG, CYP19A1, NR5A1 SRD5A1 5/4885SRD5A2 11/4885LMNA 2925/4885

“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.