Alfadolone

Alfadolone

SCHEMBL750779

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

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 SCHEMBL2512103 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

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295908-A2 NEUROACTIVE STEROID FORMULATIONS COMPRISING A COMPLEX OF ALLOPREGNANOLONE AND SULFOBUTYL ETHER BETA-CYCLODEXTRIN Sage Therapeutics, Inc. (US) 2023-12-27 EP disclosed
US-20230355639-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2023-11-09 US disclosed
US-20230225975-A1 DEXAMETHASONE PRODRUG COMPOSITIONS AND USES THEREOF RIPPLE THERAPEUTICS CORPORATION (CA) 2023-07-20 US disclosed
WO-2023079362-A1 PROCESSABLE COMPOSITIONS AND USE FOR THE SAME RIPPLE THERAPEUTICS CORPORATION (CA) 2023-05-11 WO disclosed
US-11554125-B2 Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS, INC. (US) 2023-01-17 US disclosed
EP-4003362-A1 ARTICLES COMPRISING STEROID DIMERS AND THEIR USE IN THE DELIVERY OF THERAPEUTIC AGENTS Ripple Therapeutics Corporation (CA) 2022-06-01 EP disclosed
EP-3996764-A1 SURFACE COATINGS AND IMPLANTABLE DEVICES COMPRISING DIMERIC STEROID PRODRUGS, AND USES THEREOF Ripple Therapeutics Corporation (CA) 2022-05-18 EP disclosed
US-11279729-B2 Heterodimer compositions and methods for the treatment of ocular disorders RIPPLE THERAPEUTICS CORPORATION (CA) 2022-03-22 US disclosed
EP-3957309-A1 PREPARATION OF A COMPOSITION COMPRISING ALLOPREGNANOLONE AND SULFOBUTYLETHER-BETA-CYCLODEXTRIN Sage Therapeutics, Inc. (US) 2022-02-23 EP disclosed
US-20220023313-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2022-01-27 US disclosed
US-20140057885-A1 METHODS OF TREATING EPILEPSY OR STATUS EPILEPTICUS SAGE THERAPEUTICS, INC. (US) 2014-02-27 US disclosed
US-8614203-B2 Methods for the treatment of a central nervous system injury via a tapered administration protocol EMORY UNIVERSITY (US) 2013-12-24 US disclosed
EP-2431042-B1 Methods for the treatment of central nervous system injury via a tapered administration protocol UNIV EMORY (US) 2013-06-26 EP disclosed
US-20120289491-A1 METHODS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM INJURY VIA A TAPERED ADMINISTRATION PROTOCOL EMORY UNIVERSITY 2012-11-15 US disclosed
EP-2431042-A1 Methods for the treatment of central nervous system injury via a tapered administration protocol Emory University (US) 2012-03-21 EP disclosed
US-20090221544-A1 METHODS FOR THE TREATMENT OF A TRAUMATIC CENTRAL NERVOUS SYSTEM INJURY VIA A TAPERED ADMINISTRATION PROTOCOL EMORY UNIVERSITY (US) 2009-09-03 US disclosed
US-20050187188-A1 Methods for the treatment of a traumatic central nervous system injury EMORY UNIVERSITY (US) 2005-08-25 US disclosed
US-20020072509-A1 Methods for the treatment of a traumatic central nervous system injury EMORY UNIVERSITY 2002-06-13 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 (8 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-20090221544-A1 METHODS FOR THE TREATMENT OF A TRAUMATIC CENTRAL NERVOUS SYSTEM INJURY VIA A TAPERED ADMINISTRATION PROTOCOL CYP21A2, BDNF, CYP17A1 G6PD 2934/4885GABRA1 2369/4885GABRB2 2179/4885
US-20230355639-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF GAP43, CYP17A1, HSD3B1 G6PD 1622/4885GABRA1 96/4885GABRB2 68/4885
US-11279729-B2 Heterodimer compositions and methods for the treatment of ocular disorders CRYAB, UACA, CRYAA G6PD 2109/4885GABRA1 1774/4885GABRB2 981/4885
US-11554125-B2 Neuroactive steroids, compositions, and uses thereof GAP43, CYP17A1, HSD3B1 G6PD 1622/4885GABRA1 96/4885GABRB2 68/4885
US-20120289491-A1 METHODS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM INJURY VIA A TAPERED ADMINISTRATION PROTOCOL CYP21A2, NR3C2, CYP11B2 G6PD 2889/4885GABRA1 1959/4885GABRB2 1821/4885
US-20220023313-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF GAP43, CYP17A1, HSD3B1 G6PD 1622/4885GABRA1 96/4885GABRB2 68/4885
US-20140057885-A1 METHODS OF TREATING EPILEPSY OR STATUS EPILEPTICUS GRIK4, GABRE, GRIK2 G6PD 3601/4885GABRA1 60/4885GABRB2 31/4885
US-20230225975-A1 DEXAMETHASONE PRODRUG COMPOSITIONS AND USES THEREOF NR3C1, NR3C2, CYP21A2 G6PD 86/4885GABRA1 2946/4885GABRB2 3312/4885

“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.