SCHEMBL6940263

SCHEMBL6940263

C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 4/20 0.65
AKR1B1 P15121 4/20 0.65
CYP19A1 P11511 3/20 0.65
OR51E2 Q9H255 1/20 0.65
SHBG P04278 5/20 0.56
GPBAR1 Q8TDU6 6/20 0.51
CYP3A4 P08684 4/20 0.51
SERPINA6 P08185 3/20 0.51
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
NR3C2 P08235 1/20 0.51
AR P10275 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MGAM O43451 1/20 0.51
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
HSD17B3 P37058 1/20 0.47

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
SCHEMBL7805788 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL6943587 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL6940266 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL20058396 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL17697306 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL19270194 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL17361278 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL24086240 0.86 SHBG (0.52) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL6839452 0.84 CYP19A1 (0.64) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL6839455 0.84 CYP19A1 (0.64) AKR1B10AKR1B1CYP19A1OR51E2SHBG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4252848-A2 OXYSTEROLS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2023-10-04 EP disclosed
EP-3529257-B1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2023-05-10 EP disclosed
US-20210380631-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2021-12-09 US disclosed
US-11149054-B2 Oxysterols and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2021-10-19 US disclosed
US-20190248829-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2019-08-15 US disclosed
WO-2018075699-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2018-04-26 WO disclosed
EP-0801557-B1 LIPOSOME FORMULATIONS OF 5BETA STEROIDS SUPERGEN INC (US) 2003-07-02 EP disclosed
US-6436435-B1 Liposome formulation of 5 β steroids SUPER GEN, INC. 2002-08-20 US disclosed
US-5824668-A Formulation for administration of steroid compounds SUPERGEN, INC. (US) 1998-10-20 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-20210380631-A1 OXYSTEROLS AND METHODS OF USE THEREOF NR1H3, NR1H2, HSD17B7 AKR1B10 87/4885AKR1B1 55/4885CYP19A1 21/4885
US-20190248829-A1 OXYSTEROLS AND METHODS OF USE THEREOF NR1H3, NR1H2, HSD17B7 AKR1B10 87/4885AKR1B1 58/4885CYP19A1 22/4885
US-11149054-B2 Oxysterols and methods of use thereof NR1H3, NR1H2, HSD17B7 AKR1B10 87/4885AKR1B1 58/4885CYP19A1 22/4885

“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.