SCHEMBL144878

SCHEMBL144878

CC12CCC(=O)CC1CCC1C2CCC2(C)C(C(=O)CO)CCC12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 3/20 0.76
AKR1B1 P15121 3/20 0.76
GPBAR1 Q8TDU6 3/20 0.76
CYP3A4 P08684 3/20 0.66
SHBG P04278 3/20 0.66
CYP19A1 P11511 2/20 0.66
SERPINA6 P08185 2/20 0.66
HSD17B10 Q99714 2/20 0.66
NR3C1 P04150 1/20 0.66
PGR P06401 1/20 0.66
NR3C2 P08235 1/20 0.66
AR P10275 1/20 0.66
MGAM O43451 1/20 0.66
G6PD P11413 6/20 0.65
ALDH1A1 P00352 3/20 0.65
KMT2A Q03164 2/20 0.65
MAPT P10636 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
TSHR P16473 1/20 0.65

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
SCHEMBL9510938 1.00 AKR1B10 (0.76) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL19584783 1.00 AKR1B10 (0.76) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL23144727 1.00 AKR1B10 (0.76) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL676328 1.00 AKR1B10 (0.76) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL37778 0.86 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL675417 0.86 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL17776486 0.86 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL12646116 0.86 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL23699767 0.86 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG
SCHEMBL19156379 0.86 AKR1B10 (1.00) AKR1B10AKR1B1GPBAR1CYP3A4SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250032510-A1 AMORPHOUS SOLID DISPERSION GANAXOLONE FORMULATION IMMEDICA PHARMA US INC. 2025-01-30 US claimed
US-20240197754-A1 ANTICONVULSANT ACTIVITY OF STEROIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-06-20 US claimed
US-20240099995-A1 METHOD OF PREPARING A TOPICAL PHARMACEUTICAL COMPOSITION PHEBRA PTY LTD (AU) 2024-03-28 US claimed
EP-4291171-A1 METHOD OF PREPARING A TOPICAL PHARMACEUTICAL COMPOSITION Phebra Pty Ltd (AU) 2023-12-20 EP claimed
US-20230183238-A1 RING DEUTERATED GABOXADOL AND ITS USE FOR THE TREATMENT OF PSYCHIATRIC DISORDERS CERTEGO ABC, LLC 2023-06-15 US claimed
WO-2023060067-A1 AMORPHOUS SOLID DISPERSION GANAXOLONE FORMULATION MARINUS PHARMACEUTICALS, INC. (US) 2023-04-13 WO claimed
EP-4153549-A2 RING DEUTERATED GABOXADOL AND ITS USE FOR THE TREATMENT OF PSYCHIATRIC DISORDERS Certego Therapeutics Inc. (US) 2023-03-29 EP claimed
US-11597726-B2 Ring deuterated gaboxadol and its use for the treatment of psychiatric disorders Certego Therapeutics Inc. (US) 2023-03-07 US claimed
CN-114891756-A Construction and application of aspergillus ochraceus steroid C11 alpha-hydroxylase CYP68J5 mutant 天津科技大学 2022-08-12 CN claimed
US-20220127261-A1 RING DEUTERATED GABOXADOL AND ITS USE FOR THE TREATMENT OF PSYCHIATRIC DISORDERS CERTEGO ABC, LLC 2022-04-28 US claimed
EP-2178502-A2 SUSTAINED DELIVERY OF DRUGS FROM BIODEGRADABLE POLYMERIC MICROPARTICLES YALE UNIVERSITY (US) 2010-04-28 EP claimed
WO-2010001391-A1 DERMAL APPLICATION OF VASOCONSTRICTORS ZACHAR ORON (IL) 2010-01-07 WO claimed
WO-2008157614-A9 SUSTAINED INTRAOCULAR DELIVERY OF DRUGS FROM BIODEGRADABLE POLYMERIC MICROPARTICLES UNIV YALE (US) 2009-03-26 WO claimed
WO-2008157614-A2 SUSTAINED INTRAOCULAR DELIVERY OF DRUGS FROM BIODEGRADABLE POLYMERIC MICROPARTICLES YALE UNIVERSITY (US) 2008-12-24 WO claimed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 EP claimed
WO-2007061529-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY SCIDOSE LLC. (US) 2007-05-31 WO claimed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 US claimed
US-20050152957-A1 Compositions and delivery systems for administration of a local anesthetic agent CORIUM INTERNATIONAL (US) 2005-07-14 US claimed
US-20030027833-A1 Compositions and delivery systems for administration of a local anesthetic agent CORIUM INTERNATIONAL, INC. 2003-02-06 US claimed
WO-2002089849-A1 COMPOSITIONS AND DELIVERY SYSTEMS FOR ADMINISTRATION OF A LOCAL ANESTHETIC AGENT CORIUM INTERNATIONAL (US) 2002-11-14 WO claimed

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-20240197754-A1 ANTICONVULSANT ACTIVITY OF STEROIDS CYP21A2, HSD3B1, HSD17B2 AKR1B10 414/4885AKR1B1 318/4885GPBAR1 543/4885
US-20230183238-A1 RING DEUTERATED GABOXADOL AND ITS USE FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GABRD, GABRA6, GABRA3 AKR1B10 958/4885AKR1B1 1584/4885GPBAR1 562/4885
US-20250032510-A1 AMORPHOUS SOLID DISPERSION GANAXOLONE FORMULATION PYGB, GYS2, CYP21A2 AKR1B10 282/4885AKR1B1 942/4885GPBAR1 1711/4885
US-20220127261-A1 RING DEUTERATED GABOXADOL AND ITS USE FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GABRD, GABRA6, GABRA3 AKR1B10 958/4885AKR1B1 1584/4885GPBAR1 562/4885
US-11597726-B2 Ring deuterated gaboxadol and its use for the treatment of psychiatric disorders GABRD, GABRA6, GABRA3 AKR1B10 958/4885AKR1B1 1584/4885GPBAR1 562/4885

“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.