SCHEMBL4004567

SCHEMBL4004567

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(CO)CC[C@@H]12

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.78
OR51E2 Q9H255 1/20 0.78
ALDH1A1 P00352 3/20 0.74
SHBG P04278 3/20 0.74
LMNA P02545 2/20 0.74
SERPINA6 P08185 2/20 0.74
MAPK1 P28482 2/20 0.74
HSD17B3 P37058 2/20 0.74
SNCA P37840 2/20 0.74
BLM P54132 2/20 0.74
PMP22 Q01453 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
HSD17B10 Q99714 2/20 0.74
TSHR P16473 1/20 0.74
NR3C1 P04150 1/20 0.61
PGR P06401 1/20 0.61
ADRA1A P35348 1/20 0.61
HTR2B P41595 1/20 0.61

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
Fluoride SCHEMBL27614226 0.99 CYP19A1 (0.77) CYP19A1OR51E2ALDH1A1SHBGLMNA
SCHEMBL3933487 0.90 CYP19A1 (0.76) CYP19A1OR51E2ALDH1A1SHBGLMNA
SCHEMBL11783337 0.90 CYP19A1 (0.76) CYP19A1OR51E2ALDH1A1SHBGLMNA
SCHEMBL14933679 0.90 CYP19A1 (0.76) CYP19A1OR51E2ALDH1A1SHBGLMNA
SCHEMBL3933491 0.90 CYP19A1 (0.76) CYP19A1OR51E2ALDH1A1SHBGLMNA
SCHEMBL27824503 0.89 CYP19A1 (0.73) CYP19A1OR51E2ALDH1A1SHBGLMNA
SCHEMBL4636606 0.89 CYP19A1 (0.77) CYP19A1OR51E2ALDH1A1SHBGLMNA
SCHEMBL23178011 0.88 CYP19A1 (1.00) CYP19A1OR51E2ALDH1A1SHBGLMNA
SCHEMBL21260333 0.88 CYP19A1 (1.00) CYP19A1OR51E2ALDH1A1SHBGLMNA
SCHEMBL21260334 0.88 CYP19A1 (1.00) CYP19A1OR51E2ALDH1A1SHBGLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112852767-B Carbonyl reductase mutant and application thereof in catalytic synthesis of 17 beta-hydroxy steroid compound 中国科学院天津工业生物技术研究所 2022-04-05 CN claimed
EP-1589975-A2 DEHYDROEPIANDROSTERONE (DHEA) CONGENERS FOR PREVENTION AND/OR TREATMENT OF ULCERS Inflabloc Pharmaceuticals, Inc. (US) 2005-11-02 EP claimed
WO-2004058048-A2 DEHYDROEPIANDROSTERONE (DHEA) CONGENERS FOR PREVENTION AND/OR TREATMENT OF ULCERS INFLABLOC PHARMACEUTICALS, INC. (US) 2004-07-15 WO claimed
EP-1232278-A1 MICROBIAL 9$g(a)-HYDROXYLATION OF STEROIDS Akzo Nobel N.V. (NL) 2002-08-21 EP claimed
EP-1163256-A1 HEMIHYDRATE OF 16.ALPHA.-BROMOEPIANDROSTERONE Hollis-Eden Pharmaceuticals Inc. (US) 2001-12-19 EP claimed
WO-2001031050-A1 MICROBIAL 9α-HYDROXYLATION OF STEROIDS AKZO NOBEL N.V. (NL) 2001-05-03 WO claimed
WO-2000056757-A1 IMMUNOMODULATORY STEROIDS, IN PARTICULAR THE HEMIHYDRATE OF 16.ALPHA.-BROMOEPIANDROSTERONE HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2000-09-28 WO claimed
JP-5076387-A None JP disclosed
CN-120157728-A Preparation method of 17 alpha-hydroxy pregna-4-ene-3, 11, 20-trione and intermediate compound prepared by same 湖北共同甾体药物研究院有限公司 2025-06-17 CN disclosed
CN-119059649-B Steroid medicine production sewage treatment system, comprehensive oxidation pond and working method thereof 河北达瑞生物科技股份有限公司 2025-01-28 CN disclosed
CN-119059649-A Steroid medicine production sewage treatment system, comprehensive oxidation pond and working method thereof 河北达瑞生物科技股份有限公司 2024-12-03 CN disclosed
EP-4264281-A2 LC-MS METHOD FOR DETECTING AND QUANTIFYING 11-OXYGENATED STEROIDS F. Hoffmann-La Roche AG (CH) 2023-10-25 EP disclosed
CN-113621521-B A culture method of Monascus with antioxidant and antiinflammatory effects and with effect of promoting cholesterol inhibitor production 厦门医学院 2023-09-29 CN disclosed
EP-0600946-A1 METHOD OF PREPARING 14$g(a)-HYDROXY-4-ANDROSTENE-3,17-DIONE SCHERING AKTIENGESELLSCHAFT (DE) 1994-06-15 EP disclosed
JP-H0576387-A NEW PRODUCTION OF 14ALPHA-HYDROXY-4-ANDROSTEN-3,6,17-TRIONE SNOW BRAND MILK PROD CO LTD 1993-03-30 JP disclosed
WO-1993005170-A1 METHOD OF PREPARING 14α-HYDROXY-4-ANDROSTENE-3,17-DIONE SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1993-03-18 WO disclosed
EP-0300062-B1 NOVEL ANDROST-4-ENE-3,17-DIONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1992-07-29 EP disclosed
EP-0322081-A1 Microbiological preparation of 9-alpha-hydroxy-17-keto steroids ROUSSEL-UCLAF (FR) 1989-06-28 EP disclosed
US-4749567-A WITH 6-HYDROXYANDROST-4-ENE-3, 17-DIONE, LINKED THROUGH THE HYDROXY THE DIRECTOR GENERAL OF THE MINISTRY OF AGRICULTURE AND FISHERIES (NZ) 1988-06-07 US disclosed
JP-H00576387-A 0001-01-01 JP disclosed