SCHEMBL3046110

SCHEMBL3046110

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 8/20 0.71
KMT2A Q03164 3/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
TSHR P16473 1/20 0.71
ALDH1A1 P00352 1/20 0.71
MAPT P10636 1/20 0.71
PMP22 Q01453 1/20 0.71
MEN1 O00255 2/20 0.55
AKR1B10 O60218 1/20 0.55
AKR1B1 P15121 1/20 0.55
EFNA1 P20827 1/20 0.55
EPHA2 P29317 1/20 0.55
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
GPBAR1 Q8TDU6 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55

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
SCHEMBL16213874 1.00 G6PD (0.71) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6830022 1.00 G6PD (0.71) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3669161 1.00 G6PD (0.71) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL19156397 1.00 G6PD (0.71) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11103160 1.00 G6PD (0.71) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL27876896 0.90 G6PD (0.57) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3988193 0.88 G6PD (0.58) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3122440 0.88 G6PD (0.72) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11350178 0.88 G6PD (0.72) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9623226 0.88 G6PD (0.56) G6PDKMT2ACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220226349-A1 TOPICAL NEUROSTEROID FORMULATIONS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-07-21 US claimed
EP-4017498-A1 TOPICAL NEUROSTEROID FORMULATIONS Arizona Board of Regents on behalf of the University of Arizona (US) 2022-06-29 EP claimed
WO-2021034883-A1 TOPICAL NEUROSTEROID FORMULATIONS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-02-25 WO claimed
EP-3773599-A1 GABA-A ANTAGONISTS FOR TREATING SUBSTANCE WITHDRAWAL DISORDERS Asarina Pharma ApS (DK) 2021-02-17 EP claimed
WO-2019193138-A1 GABA-A ANTAGONISTS FOR TREATING SUBSTANCE WITHDRAWAL DISORDERS ASARINA PHARMA APS (DK) 2019-10-10 WO claimed
WO-2018147791-A1 3-BETA-HYDROXY-5-ALPHA-PREGNAN-20-ONE FOR USE IN TREATMENT OF ESSENTIAL TREMOR ASARINA PHARMA AB (SE) 2018-08-16 WO claimed
WO-2014107794-A1 FORMULATIONS AND METHODS FOR THEIR USE IN TREATMENT OF NEUROPATHOLOGY AND NEURODEGENERATION AS A RESULT OF TRAUMATIC INJURY SAPNA LIFE SCIENCES CORP. (CA) 2014-07-17 WO claimed
US-11975073-B2 Lipid prodrugs of neurosteroids PURETECH LYT, INC. (US) 2024-05-07 US disclosed
US-20240117436-A1 METHODS OF TREATING LIPEDEMA INCLUDING AKR1C2 AS A THERAPEUTIC TARGET MAGI EUREGIO SCS (IT) 2024-04-11 US disclosed
US-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2023-10-26 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
CN-115348864-A Lipid prodrugs of neurosteroids 纯技术LYT股份有限公司 2022-11-15 CN disclosed
WO-2008066899-A2 NANOPARTICULATE FORMULATIONS AND METHODS FOR THE MAKING AND USE THEREOF MARINUS PHARMACEUTICALS (US) 2008-06-05 WO disclosed
EP-1812009-A1 GABA-STEROID ANTAGONISTS AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS Umecrine AB (SE) 2007-08-01 EP disclosed
WO-2006054938-A1 GABA-STEROID ANTAGONISTS AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS UMECRINE AB (SE) 2006-05-26 WO disclosed
EP-1458399-A1 PREGNANE STEROIDS FOR USE IN THE TREATMENT OF CNS DISORDERS Umecrine AB (SE) 2004-09-22 EP disclosed
WO-2003059357-A1 PREGNANE STEROIDS FOR USE IN THE TREATMENT OF CNS DISORDERS UMECRINE AB (SE) 2003-07-24 WO disclosed
EP-0554436-A4 1994-01-12 EP disclosed
EP-0554436-A1 GABA RECEPTOR MODULATORS COCENSYS, INC. (US) 1993-08-11 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-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 G6PD 1035/4885KMT2A 3097/4885CYP1A2 83/4885
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 G6PD 1035/4885KMT2A 3097/4885CYP1A2 83/4885
US-11975073-B2 Lipid prodrugs of neurosteroids CYP21A2, CYP46A1, CYP17A1 G6PD 1035/4885KMT2A 3097/4885CYP1A2 83/4885

“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.