SCHEMBL23699767

SCHEMBL23699767

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 4/20 1.00
AKR1B1 P15121 4/20 1.00
GPBAR1 Q8TDU6 2/20 1.00
CYP3A4 P08684 3/20 0.70
SHBG P04278 2/20 0.70
CYP19A1 P11511 2/20 0.70
NR3C1 P04150 1/20 0.70
PGR P06401 1/20 0.70
SERPINA6 P08185 1/20 0.70
NR3C2 P08235 1/20 0.70
AR P10275 1/20 0.70
HSD17B10 Q99714 1/20 0.70
MGAM O43451 1/20 0.70
GABRP O00591 4/20 0.63
GABRD O14764 4/20 0.63
GABRA1 P14867 4/20 0.63
GABRB1 P18505 4/20 0.63
GABRG2 P18507 4/20 0.63
GABRB3 P28472 4/20 0.63
GABRA5 P31644 4/20 0.63

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
SCHEMBL18373741 1.00 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL13487248 1.00 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL19156379 1.00 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL14007476 1.00 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL12242383 1.00 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL37778 1.00 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL17776486 1.00 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL12646116 1.00 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL675417 1.00 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL13988206 1.00 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116913-A1 NEUROSTEROID COMPOUNDS AND METHODS FOR THEIR PREPARATION AND USE IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS TEXAS A & M UNIV SYS (US) 2026-04-30 US disclosed
US-12509487-B2 Neurosteroid compounds and methods for their preparation and use in treating central nervous system disorders THE TEXAS A&M UNIVERSITY SYSTEM (US) 2025-12-30 US disclosed
US-20230151052-A1 NEUROSTEROID COMPOUNDS AND METHODS FOR THEIR PREPARATION AND USE IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS THE TEXAS A&M UNIVERSITY SYSTEM 2023-05-18 US disclosed
US-20230151052-A1 NEUROSTEROID COMPOUNDS AND METHODS FOR THEIR PREPARATION AND USE IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS THE TEXAS A&M UNIVERSITY SYSTEM 2023-05-18 US disclosed
US-11542296-B2 Neurosteroid compounds and methods for their preparation and use in treating central nervous system disorders THE TEXAS A&M UNIVERSITY SYSTEM (US) 2023-01-03 US disclosed
US-11542296-B2 Neurosteroid compounds and methods for their preparation and use in treating central nervous system disorders THE TEXAS A&M UNIVERSITY SYSTEM (US) 2023-01-03 US disclosed
US-20210238220-A1 NEUROSTEROID COMPOUNDS AND METHODS FOR THEIR PREPARATION AND USE IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-05 US disclosed
US-20210238220-A1 NEUROSTEROID COMPOUNDS AND METHODS FOR THEIR PREPARATION AND USE IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-05 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 (5 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-20230151052-A1 NEUROSTEROID COMPOUNDS AND METHODS FOR THEIR PREPARATION AND USE IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS CYP11B2, CYP21A2, CYP11B1 AKR1B10 480/4885AKR1B1 381/4885GPBAR1 300/4885
US-20210238220-A1 NEUROSTEROID COMPOUNDS AND METHODS FOR THEIR PREPARATION AND USE IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS CYP11B2, CYP21A2, CYP11B1 AKR1B10 480/4885AKR1B1 381/4885GPBAR1 300/4885
US-12509487-B2 Neurosteroid compounds and methods for their preparation and use in treating central nervous system disorders SLC6A11, GABRE, SLC6A13 AKR1B10 986/4885AKR1B1 1892/4885GPBAR1 668/4885
US-20260116913-A1 NEUROSTEROID COMPOUNDS AND METHODS FOR THEIR PREPARATION AND USE IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS CHRNA9, HSD3B2, HSD3B1 AKR1B10 1617/4885AKR1B1 1802/4885GPBAR1 3408/4885
US-11542296-B2 Neurosteroid compounds and methods for their preparation and use in treating central nervous system disorders CYP11B2, CYP21A2, CYP11B1 AKR1B10 480/4885AKR1B1 381/4885GPBAR1 300/4885

“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.