SCHEMBL8544939

SCHEMBL8544939

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.74
SRD5A2 P31213 9/20 0.74
LMNA P02545 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
ABCC4 O15439 1/20 0.74
ABCB11 O95342 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
CHRM1 P11229 1/20 0.74
HSD3B1 P14060 1/20 0.74
NFKB1 P19838 1/20 0.74
MAPK1 P28482 1/20 0.74
THPO P40225 1/20 0.74
BLM P54132 1/20 0.74

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
SCHEMBL8544935 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14536870 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9233678 0.91 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL790006 0.91 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL13495833 0.91 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL24503471 0.91 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL1108300 0.91 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14477868 0.91 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8573691 0.91 SRD5A2 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL10000653 0.91 SRD5A1 (0.74) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414378-B1 SEPARATION OF 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF SA (CH) 2014-03-05 EP disclosed
US-8664395-B2 Purification 4-aza-androst-1-ene-17-oic acid from 4-aza-androstan-17-oic acid PHF S.A. (CH) 2014-03-04 US disclosed
US-20120029196-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF S.A. (CH) 2012-02-02 US disclosed
US-5760045-A BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1998-06-02 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0646007-B1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO INC (US) 1997-08-13 EP disclosed
US-5510351-A PREGNANE ENZYME INHIBITOR FOR TREATING SKIN DISORDER, BALDNESS, PROSTATIC CANCER MERCK & CO., INC. (US) 1996-04-23 US disclosed
EP-0646007-A4 1995-04-26 EP disclosed
EP-0646007-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17-g(b)-SUBSTITUTED-4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-04-05 EP disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023050-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 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 (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-20120029196-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID NR5A1, SRD5A2, CYP19A1 SRD5A1 4/4885SRD5A2 2/4885LMNA 3426/4885

“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.