SCHEMBL21645690

SCHEMBL21645690

C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CC[C@@H]2C(=O)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 11/20 1.00
CYP3A4 P08684 4/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2C9 P11712 2/20 1.00
PMP22 Q01453 2/20 1.00
KMT2A Q03164 2/20 1.00
TSHR P16473 1/20 1.00
ALDH1A1 P00352 1/20 1.00
MAPT P10636 1/20 1.00
GABRP O00591 2/20 0.74
GABRD O14764 2/20 0.74
GABRA1 P14867 2/20 0.74
GABRB1 P18505 2/20 0.74
GABRG2 P18507 2/20 0.74
GABRB3 P28472 2/20 0.74
GABRA5 P31644 2/20 0.74
GABRA3 P34903 2/20 0.74
GABRA2 P47869 2/20 0.74
GABRB2 P47870 2/20 0.74
GABRA4 P48169 2/20 0.74

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
SCHEMBL19229447 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL20781183 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL642973 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL5496387 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL22593890 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL17776488 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL4557082 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL18373713 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL10381095 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL597740 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2022-12-15 US claimed
EP-4100017-A1 LIPID PRODRUGS OF NEUROSTEROIDS PureTech LYT, Inc. (US) 2022-12-14 EP claimed
US-20210300962-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2021-09-30 US claimed
WO-2021159021-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2021-08-12 WO claimed
EP-3829590-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF PureTech LYT, Inc. (US) 2021-06-09 EP claimed
WO-2020028787-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF PureTech Health LLC (US) 2020-02-06 WO claimed
US-20240245788-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2024-07-25 US 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-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-20210300962-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2021-09-30 US disclosed
WO-2021159021-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2021-08-12 WO disclosed
EP-3829590-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF PureTech LYT, Inc. (US) 2021-06-09 EP disclosed
WO-2020028787-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF PureTech Health LLC (US) 2020-02-06 WO 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-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 G6PD 1035/4885CYP3A4 175/4885CYP1A2 83/4885
US-20240245788-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 G6PD 1035/4885CYP3A4 175/4885CYP1A2 83/4885
US-20210300962-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF CYP21A2, CYP46A1, CYP17A1 G6PD 861/4885CYP3A4 113/4885CYP1A2 65/4885
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 G6PD 1035/4885CYP3A4 175/4885CYP1A2 83/4885
US-11975073-B2 Lipid prodrugs of neurosteroids CYP21A2, CYP46A1, CYP17A1 G6PD 1035/4885CYP3A4 175/4885CYP1A2 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.