SCHEMBL3669161

SCHEMBL3669161

C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO

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
SCHEMBL19156397 1.00 G6PD (0.71) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3046110 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4424159-A Process for the synthesis of the hydroxyacetyl side-chain of steroids of the pregnane type, novel 21-hydroxy-20-oxo-17α-pregnane compounds and pharmaceutical preparations containing them CIBA-GEIGY CORPORATION (US) 1984-01-03 US claimed
JP-52148687-A None JP disclosed
CN-119950517-A Ganaxolone for the treatment of tuberous sclerosis 马瑞纳斯制药公司 2025-05-09 CN disclosed
CN-114828889-B Ganaxolone for the treatment of tuberous sclerosis 马瑞纳斯制药公司 2025-02-14 CN disclosed
WO-2015075693-A1 PROCESS FOR THE SYNTHESIS OF (11 BETA.17ALPHA)-17-ACETOXY-1 1 -METHYL-19-NORPREGN-4-EN-3.20-DIONE RICHTER GEDEON NYRT. (HU) 2015-05-28 WO disclosed
EP-2155204-A1 ANDROSTANE AND PREGNANE STEROIDS WITH POTENT ALLOSTERIC GABA RECEPTOR CHLORIDE IONOPHORE MODULATING PROPERTIES Cook, Kevin M. (US) 2010-02-24 EP disclosed
WO-2008157460-A1 ANDROSTANE AND PREGNANE STEROIDS WITH POTENT ALLOSTERIC GABA RECEPTOR CHLORIDE IONOPHORE MODULATING PROPERTIES COOK, KEVIN, M. (US) 2008-12-24 WO disclosed
US-20070270584-A1 Process for the Preparation of Steroidal Carbothioic Acid Derivatives and Intermediates AXELLIA PHARMACEUTICALS APS (DK) 2007-11-22 US disclosed
EP-1611149-A1 PROCESS FOR THE PREPARATION OF STEROIDAL CARBOTHIOIC ACID DERIVATIVES AND INTERMEDIATES Alpharma APS (DK) 2006-01-04 EP disclosed
US-20050070515-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-03-31 US disclosed
US-4424159-A Process for the synthesis of the hydroxyacetyl side-chain of steroids of the pregnane type, novel 21-hydroxy-20-oxo-17α-pregnane compounds and pharmaceutical preparations containing them CIBA-GEIGY CORPORATION (US) 1984-01-03 US disclosed
US-4424159-A Process for the synthesis of the hydroxyacetyl side-chain of steroids of the pregnane type, novel 21-hydroxy-20-oxo-17α-pregnane compounds and pharmaceutical preparations containing them CIBA-GEIGY CORPORATION (US) 1984-01-03 US disclosed
EP-0005758-B1 PROCESS FOR THE SYNTHESIS OF THE HYDROXYACETYL SIDE CHAIN OF PREGNANE STEROIDS, 21-HYDROXY 20-OXO-17 ALPHA PREGNANES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1983-05-18 EP disclosed
US-4335121-A TOPICAL ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1982-06-15 US disclosed
US-4189431-A CYCLIZATION OF POLYENINE TO POLYCYCLIC COMPOUND HAVING CYCLOPENTANO RING The Board of Trustees of Leland Stanford Junior University (US) 1980-02-19 US disclosed
EP-0005758-A1 Process for the synthesis of the hydroxyacetyl side chain of pregnane steroids, 21-hydroxy 20-oxo-17 alpha pregnanes and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1979-12-12 EP disclosed
JP-S52148687-A PREPARATION OF 17-ESTERS OF PREGNANES TAISHO PHARMACEUT CO LTD 1977-12-10 JP disclosed
US-4033995-A D-homo steroids SCHERING AKTIENGESELLSCHAFT (DT) 1977-07-05 US disclosed
US-4008312-A Pregnane-21-oic acid derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1977-02-15 US disclosed
US-3956347-A Novel pregnanoic acid derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1976-05-11 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 (2 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-20070270584-A1 Process for the Preparation of Steroidal Carbothioic Acid Derivatives and Intermediates CYP17A1, HSD17B7, NR5A1 G6PD 1899/4885KMT2A 2780/4885CYP1A2 65/4885
US-20050070515-A1 Compounds LCT, LPO, LIPE G6PD 47/4885KMT2A 3356/4885CYP1A2 302/4885

“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.