SCHEMBL676328

SCHEMBL676328

C[C@]12CC[C@H]3[C@@H](CCC4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 3/20 0.76
AKR1B1 P15121 3/20 0.76
GPBAR1 Q8TDU6 3/20 0.76
CYP3A4 P08684 3/20 0.66
SHBG P04278 3/20 0.66
CYP19A1 P11511 2/20 0.66
SERPINA6 P08185 2/20 0.66
HSD17B10 Q99714 2/20 0.66
NR3C1 P04150 1/20 0.66
PGR P06401 1/20 0.66
NR3C2 P08235 1/20 0.66
AR P10275 1/20 0.66
MGAM O43451 1/20 0.66
G6PD P11413 6/20 0.65
ALDH1A1 P00352 3/20 0.65
KMT2A Q03164 2/20 0.65
MAPT P10636 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
TSHR P16473 1/20 0.65

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
SCHEMBL9510938 1.00 AKR1B10 (0.76) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL19584783 1.00 AKR1B10 (0.76) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL23144727 1.00 AKR1B10 (0.76) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL144878 1.00 AKR1B10 (0.76) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL37778 0.86 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL675417 0.86 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL17776486 0.86 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL12646116 0.86 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL23699767 0.86 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL19156379 0.86 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230085402-A1 BIOMARKERS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-03-16 US claimed
EP-4097487-A1 BIOMARKERS Oxford University Innovation Limited (GB) 2022-12-07 EP claimed
WO-2021152330-A1 BIOMARKERS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-08-05 WO claimed
EP-2396658-B1 ASSAY FOR DETECTION OF ADRENAL TUMOUR UNIV BIRMINGHAM (GB) 2015-12-16 EP claimed
EP-0269786-B1 Quantitative analysis of 3-oxo-5Beta-Steroid and reagent therefor DAIICHI PURE CHEMICALS CO LTD (JP) 1993-11-03 EP claimed
US-5085989-A Contacting sample with specific dehydrogenase and tetrazolium salt, measuring optical density of colored substance produced; diagnosis of liver disorders DAIICHI PURE CHEMICALS CO., LTD. (JP) 1992-02-04 US claimed
CN-119950517-A Ganaxolone for the treatment of tuberous sclerosis 马瑞纳斯制药公司 2025-05-09 CN disclosed
CN-114828889-B Ganaxolone for the treatment of tuberous sclerosis 马瑞纳斯制药公司 2025-02-14 CN disclosed
US-11975073-B2 Lipid prodrugs of neurosteroids PURETECH LYT, INC. (US) 2024-05-07 US disclosed
US-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2023-10-26 US disclosed
US-20230085402-A1 BIOMARKERS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-03-16 US disclosed
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2022-12-15 US disclosed
EP-4100017-A1 LIPID PRODRUGS OF NEUROSTEROIDS PureTech LYT, Inc. (US) 2022-12-14 EP disclosed
US-5085989-A Contacting sample with specific dehydrogenase and tetrazolium salt, measuring optical density of colored substance produced; diagnosis of liver disorders DAIICHI PURE CHEMICALS CO., LTD. (JP) 1992-02-04 US disclosed
US-5028600-A Oil in Water Emulsion of Pregnanolone KABIVITRUM AB (SE) 1991-07-02 US disclosed
EP-0233849-B1 COMPOSITION OF PREGNANOLOLE COMPRISING A STABLE OIL-IN-WATER EMULSION Kabi Pharmacia AB (SE) 1991-06-19 EP disclosed
EP-0269786-A1 Quantitative analysis of 3-oxo-5Beta-Steroid and reagent therefor DAIICHI PURE CHEMICALS CO. LTD. (JP) 1988-06-08 EP disclosed
EP-0233849-A1 Composition of pregnanolole comprising a stable oil-in-water emulsion Kabi Pharmacia AB (SE) 1987-08-26 EP disclosed
US-4397947-A NOCARDIA G. D. SEARLE & CO. (US) 1983-08-09 US disclosed
US-4034749-A Intrauterine contraceptive device SCHERING AKTIENGESELLSCHAFT (DT) 1977-07-12 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 (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-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 AKR1B10 298/4885AKR1B1 189/4885GPBAR1 241/4885
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 AKR1B10 298/4885AKR1B1 189/4885GPBAR1 241/4885
US-11975073-B2 Lipid prodrugs of neurosteroids CYP21A2, CYP46A1, CYP17A1 AKR1B10 298/4885AKR1B1 189/4885GPBAR1 241/4885

“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.