Alfadolone

Alfadolone

SCHEMBL2512103

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 9/20 1.00
GABRA1 P14867 4/20 0.80
GABRB2 P47870 4/20 0.80
CYP3A4 P08684 3/20 0.80
CYP2C9 P11712 3/20 0.80
KMT2A Q03164 3/20 0.80
MEN1 O00255 2/20 0.80
GABRG2 P18507 2/20 0.80
GABRB3 P28472 2/20 0.80
GABRA2 P47869 2/20 0.80
GLA P06280 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
PMP22 Q01453 2/20 0.70
CYP1A2 P05177 1/20 0.70
TSHR P16473 1/20 0.70
ALDH1A1 P00352 1/20 0.70
MAPT P10636 1/20 0.70
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GMNN O75496 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
Alfadolone SCHEMBL2512102 1.00 G6PD (1.00) G6PDGABRA1GABRB2CYP3A4CYP2C9
Alfadolone SCHEMBL14525649 1.00 G6PD (1.00) G6PDGABRA1GABRB2CYP3A4CYP2C9
Alfadolone SCHEMBL30555809 1.00 G6PD (1.00) G6PDGABRA1GABRB2CYP3A4CYP2C9
Alfadolone SCHEMBL17223283 1.00 G6PD (1.00) G6PDGABRA1GABRB2CYP3A4CYP2C9
Alfadolone SCHEMBL20075616 1.00 G6PD (1.00) G6PDGABRA1GABRB2CYP3A4CYP2C9
Alfadolone SCHEMBL24023700 1.00 G6PD (1.00) G6PDGABRA1GABRB2CYP3A4CYP2C9
Alfadolone SCHEMBL28333104 1.00 G6PD (1.00) G6PDGABRA1GABRB2CYP3A4CYP2C9
Alfadolone SCHEMBL57673 1.00 G6PD (1.00) G6PDGABRA1GABRB2CYP3A4CYP2C9
Alfadolone SCHEMBL21614058 1.00 G6PD (1.00) G6PDGABRA1GABRB2CYP3A4CYP2C9
Alfadolone SCHEMBL750779 1.00 G6PD (1.00) G6PDGABRA1GABRB2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210355157-A1 NEUROACTIVE STEROIDS AND METHODS OF PREPARATION DRAWBRIDGE PHARMACEUTICALS PTY LTD (AU) 2021-11-18 US 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
US-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 US disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 US disclosed
US-5763431-A MODIFIED NEUROACTIVE STEROID JACKSON MEYER B (US) 1998-06-09 US disclosed
WO-1990005528-A2 ANTI-THROMBOTIC STEROIDS CHILDREN'S MEDICAL CENTER CORPORATION (US) 1990-05-31 WO disclosed
US-4391803-A STEROID BLEND HEPAR INDUSTRIES (US) 1983-07-05 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-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 G6PD 1035/4885GABRA1 2097/4885GABRB2 2004/4885
US-20210300962-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF CYP21A2, CYP46A1, CYP17A1 G6PD 861/4885GABRA1 1454/4885GABRB2 1504/4885
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 G6PD 1035/4885GABRA1 2097/4885GABRB2 2004/4885
US-20210355157-A1 NEUROACTIVE STEROIDS AND METHODS OF PREPARATION GAP43, CHRNB4, ADRA2C G6PD 3145/4885GABRA1 63/4885GABRB2 100/4885
US-11975073-B2 Lipid prodrugs of neurosteroids CYP21A2, CYP46A1, CYP17A1 G6PD 1035/4885GABRA1 2097/4885GABRB2 2004/4885

“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.