SCHEMBL4802159

SCHEMBL4802159

C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)C=C[C@]3(C)[C@H]1CC2

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.62
CYP19A1 P11511 3/20 0.49
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
NR1I3 Q14994 1/20 0.44
GRIN1 Q05586 6/20 0.44
GRIN2B Q13224 6/20 0.44
SHBG P04278 1/20 0.36

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
SCHEMBL219127 1.00 MBOAT4 (0.62) MBOAT4CYP19A1CDK5CDK5R1NR1I3
SCHEMBL21176005 1.00 MBOAT4 (0.62) MBOAT4CYP19A1CDK5CDK5R1NR1I3
SCHEMBL1781352 1.00 MBOAT4 (0.62) MBOAT4CYP19A1CDK5CDK5R1NR1I3
SCHEMBL29688566 1.00 MBOAT4 (0.62) MBOAT4CYP19A1CDK5CDK5R1NR1I3
SCHEMBL3268576 0.81 MBOAT4 (0.53) MBOAT4CYP19A1CDK5CDK5R1NR1I3
SCHEMBL1788661 0.80 MBOAT4 (0.46) MBOAT4CYP19A1GRIN1GRIN2BSHBG
SCHEMBL2186022 0.79 CYP19A1 (0.55) CYP19A1SHBG
SCHEMBL1287860 0.79 CYP19A1 (0.55) CYP19A1SHBG
SCHEMBL1287861 0.79 CYP19A1 (0.55) CYP19A1SHBG
SCHEMBL9512557 0.79 CYP19A1 (0.55) CYP19A1SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468012-B1 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1995-09-20 EP claimed
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. 1995-05-03 EP claimed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 EP claimed
WO-1991012261-A1 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1991-08-22 WO claimed
US-20190224214-A1 HUMAN GHRELIN O-ACYLTRANSFERASE INHIBITORS SYRACUSE UNIVERSITY (US) 2019-07-25 US disclosed
US-20080119503-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2008-05-22 US disclosed
US-7351698-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2008-04-01 US disclosed
EP-1868593-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE Hythiam, Inc. (US) 2007-12-26 EP disclosed
US-20060241107-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME LLC 2006-10-26 US disclosed
WO-2006110642-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE HYTHIAM, INC. (US) 2006-10-19 WO disclosed
US-20050137256-A1 Use of arachidonic acid as a method of increasing skeletal muscle mass LLEWELLYN WILLIAM C (US) 2005-06-23 US disclosed
US-6841573-B2 Use of arachidonic acid as a method of increasing skeletal muscle mass MOLECULAR NUTRITION (US) 2005-01-11 US disclosed
EP-0462662-A2 17beta-N-monosubstituted adamantyl/norbornanyl carbamoyl-4-aza-5alpha-androst-1-en-3-ones and androstan-3-ones MERCK & CO. INC. (US) 1991-12-27 EP disclosed
EP-0462661-A2 Novel 17beta-hydroxybenzoyl-4-aza-5alpha-androst-1-en-3-ones as testosterone reductase inhibitors MERCK & CO. INC. (US) 1991-12-27 EP disclosed
US-5061802-A 17β-aminobenzoyl-4-aza-5α-androst-1-en-3-ones as benign prostatic hypertrophy agents MERCK & CO. INC. (US) 1991-10-29 US disclosed
US-5049562-A Enzyme inhibitors, antiandrogens MERCK & CO., INC. (US) 1991-09-17 US disclosed
WO-1991012261-A1 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1991-08-22 WO disclosed
US-4859681-A 17 α-Acyl-4-aza-5a-androst-1-en-3-ones as 5 alpha-reductase inhibitors MERCK & CO., INC. (US) 1989-08-22 US disclosed
US-4760071-A Enzyme inhibitor MERCK & CO., INC. (US) 1988-07-26 US disclosed
EP-0271219-A1 Topical pharmaceutical composition containing 17-beta-methoxycarbonyl-4-methyl-4-aza-5-alpha-androst-1-en-3-one MERCK & CO. INC. (US) 1988-06-15 EP 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 (3 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-20060241107-A1 Androgen receptor modulators and methods of use thereof SHBG, FSHR, AR MBOAT4 883/4885CYP19A1 11/4885CDK5 2978/4885
US-20190224214-A1 HUMAN GHRELIN O-ACYLTRANSFERASE INHIBITORS MBOAT4, LCAT, ACAT1 MBOAT4 1/4885CYP19A1 66/4885CDK5 1727/4885
US-20080119503-A1 Androgen receptor modulators and methods of use thereof SHBG, FSHR, AR MBOAT4 883/4885CYP19A1 11/4885CDK5 2978/4885

“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.