SCHEMBL1324964

SCHEMBL1324964

C[C@]12CCC(O)CC1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(O)CCCO

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
G6PD P11413 3/20 0.61
SERPINA6 P08185 2/20 0.59
LMNA P02545 2/20 0.59
GPBAR1 Q8TDU6 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
TSHR P16473 2/20 0.59
SHBG P04278 1/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
NR1I3 Q14994 1/20 0.52

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
SCHEMBL1324961 1.00 G6PD (0.61) G6PDSERPINA6LMNAGPBAR1CYP1A2
SCHEMBL19330943 0.93 G6PD (0.64) G6PDSERPINA6LMNAGPBAR1CYP1A2
SCHEMBL16431616 0.93 G6PD (0.64) G6PDSERPINA6LMNAGPBAR1CYP1A2
SCHEMBL598321 0.93 G6PD (0.64) G6PDSERPINA6LMNAGPBAR1CYP1A2
SCHEMBL598190 0.93 G6PD (0.64) G6PDSERPINA6LMNAGPBAR1CYP1A2
SCHEMBL9436439 0.88 G6PD (0.67) G6PDSERPINA6LMNAGPBAR1CYP1A2
SCHEMBL16225749 0.88 G6PD (0.67) G6PDSERPINA6LMNAGPBAR1CYP1A2
SCHEMBL1872625 0.88 G6PD (0.67) G6PDSERPINA6LMNAGPBAR1CYP1A2
SCHEMBL4934329 0.88 G6PD (0.67) G6PDSERPINA6LMNAGPBAR1CYP1A2
SCHEMBL16225853 0.88 G6PD (0.67) G6PDSERPINA6LMNAGPBAR1CYP1A2

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
EP-2527356-B1 Process for the Production of 3-Oxo-pregn-4-ene-21,17-carbolactones by the Metal-Free Oxidation of 17-(3-Hydroxypropyl)-3,17-dihydroxyandrostanes BAYER IP GMBH (DE) 2018-01-03 EP disclosed
EP-2527356-B1 Process for the Production of 3-Oxo-pregn-4-ene-21,17-carbolactones by the Metal-Free Oxidation of 17-(3-Hydroxypropyl)-3,17-dihydroxyandrostanes BAYER IP GMBH (DE) 2018-01-03 EP disclosed
EP-1910403-B1 PROCESS FOR THE PRODUCTION OF 3-OXO-PREGN-4-ENE-21,17-CARBOLACTONES BY THE METAL-FREE OXIDATION OF 17-(3-HYDROXYPROPYL)-3,17-DIHYDROXYANDROSTANES Bayer Pharma AG (DE) 2016-04-27 EP disclosed
EP-1746101-B2 Process for the production of Oxo-pregn-4-en-21,17-carbolactonen by metal free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes Bayer Pharma AG (DE) 2014-05-14 EP disclosed
EP-2527356-A3 Process for the Production of 3-Oxo-pregn-4-ene-21,17-carbolactones by the Metal-Free Oxidation of 17-(3-Hydroxypropyl)-3,17-dihydroxyandrostanes Bayer Pharma Aktiengesellschaft (DE) 2014-04-09 EP disclosed
EP-2527356-A3 Process for the Production of 3-Oxo-pregn-4-ene-21,17-carbolactones by the Metal-Free Oxidation of 17-(3-Hydroxypropyl)-3,17-dihydroxyandrostanes Bayer Pharma Aktiengesellschaft (DE) 2014-04-09 EP disclosed
US-8658788-B2 Process for the production of 3-oxo-pregn-4-ene-21,17-carbolactones by the metal-free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes Bayer Pharma AG (DE) 2014-02-25 US disclosed
US-8658788-B2 Process for the production of 3-oxo-pregn-4-ene-21,17-carbolactones by the metal-free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes Bayer Pharma AG (DE) 2014-02-25 US disclosed
US-8658788-B2 Process for the production of 3-oxo-pregn-4-ene-21,17-carbolactones by the metal-free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes Bayer Pharma AG (DE) 2014-02-25 US disclosed
US-RE44734-E1 Process for the production of 3-oxo-pregn-4-ene-21,17-carbolactones by the metal free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-28 US disclosed
US-7319154-B2 Oxidation of 17 alpha -(3-hydroxypropyl)-6 beta ,7 beta ;15 beta ,16 beta -dimethylene-androstane-3 beta ,5 beta ,17 beta -triol in the presence of a catalytic amounts of a 2,2,6,6-tetramethylpiperidine-N-oxide derivative at a pH of at least 8.0 BAYER SCHERING PHARMA AG (DE) 2008-01-15 US disclosed
US-20070049747-A1 Process for the production of 3-oxo-pregn-4-ene-21, 17-carbolactones by the metal-free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-01 US disclosed
US-20070049747-A1 Process for the production of 3-oxo-pregn-4-ene-21, 17-carbolactones by the metal-free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-01 US disclosed
US-20070049747-A1 Process for the production of 3-oxo-pregn-4-ene-21, 17-carbolactones by the metal-free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-01 US disclosed
WO-2007009821-A1 PROCESS FOR THE PRODUCTION OF 3-OXO-PREGN-4-ENE-21,17-CARBOLACTONES BY THE METAL-FREE OXIDATION OF 17-(3-HYDROXYPROPYL)-3,17-DIHYDROXYANDROSTANES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 WO disclosed
WO-2007009821-A1 PROCESS FOR THE PRODUCTION OF 3-OXO-PREGN-4-ENE-21,17-CARBOLACTONES BY THE METAL-FREE OXIDATION OF 17-(3-HYDROXYPROPYL)-3,17-DIHYDROXYANDROSTANES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 WO disclosed
US-20070021603-A1 Process for the production of 3-oxo-pregn-4-ene-21,17-carbolactones by the metal free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 US disclosed
US-20070021603-A1 Process for the production of 3-oxo-pregn-4-ene-21,17-carbolactones by the metal free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 US disclosed
US-20070021603-A1 Process for the production of 3-oxo-pregn-4-ene-21,17-carbolactones by the metal free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 US disclosed
EP-1746101-A1 Process for the production of Oxo-pregn-4-en-21,17-carbolactonen by metal free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes Schering Aktiengesellschaft (DE) 2007-01-24 EP 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-20070021603-A1 Process for the production of 3-oxo-pregn-4-ene-21,17-carbolactones by the metal free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes HSD17B7, HSD17B13, HSD17B3 G6PD 513/4885SERPINA6 531/4885LMNA 2506/4885
US-20070049747-A1 Process for the production of 3-oxo-pregn-4-ene-21, 17-carbolactones by the metal-free oxidation of 17-(3-hydroxypropyl)-3,17-dihydroxyandrostanes HSD17B13, HSD17B3, HSD17B7 G6PD 1113/4885SERPINA6 489/4885LMNA 2712/4885

“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.