SCHEMBL3248401

SCHEMBL3248401

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@](O)(CCC(=O)O)[C@@]3(C)CC[C@@H]12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.57
SHBG P04278 6/20 0.57
HIF1A Q16665 6/20 0.57
SERPINA6 P08185 5/20 0.57
HSD17B10 Q99714 5/20 0.57
CYP2C19 P33261 5/20 0.57
LMNA P02545 4/20 0.57
CYP3A4 P08684 3/20 0.57
BLM P54132 2/20 0.57
TSHR P16473 2/20 0.57
PMP22 Q01453 1/20 0.57
NR3C1 P04150 5/20 0.56
PGR P06401 3/20 0.56
ALDH1A1 P00352 3/20 0.56
ADRA1A P35348 1/20 0.56
HTR2B P41595 1/20 0.56
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
ADORA3 P0DMS8 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
SCHEMBL10959837 0.99 SMN1; SMN2 (0.56) SMN1; SMN2SHBGHIF1ASERPINA6HSD17B10
SCHEMBL3246003 0.93 SHBG (0.57) SMN1; SMN2SHBGHIF1ASERPINA6HSD17B10
SCHEMBL10961427 0.90 CYP2C19 (0.56) SMN1; SMN2SHBGHIF1ASERPINA6HSD17B10
Potassium Ion SCHEMBL10959844 0.90 HIF1A (0.56) SMN1; SMN2SHBGHIF1ASERPINA6HSD17B10
SCHEMBL10960448 0.88 PSEN1 (0.55) SMN1; SMN2SHBGHIF1ASERPINA6HSD17B10
SCHEMBL11507963 0.87 SHBG (0.58) SMN1; SMN2SHBGHIF1ASERPINA6HSD17B10
SCHEMBL10960692 0.86 SMN1; SMN2 (0.52) SMN1; SMN2SHBGHIF1ASERPINA6HSD17B10
SCHEMBL10783197 0.83 NR3C1 (0.55) SMN1; SMN2SHBGHIF1ASERPINA6HSD17B10
Potassium Ion SCHEMBL10786275 0.83 SHBG (0.55) SMN1; SMN2SHBGHIF1ASERPINA6HSD17B10
SCHEMBL9128191 0.83 SHBG (0.68) SMN1; SMN2SHBGHIF1ASERPINA6HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450476-B2 Making drospirenone; chemical intermediates e.g. carbethoxy-drospirenone; industrial scale, safe (no chromium catalyst), meets purity requirements RICHTER GEDEON NYRT. (HU) 2013-05-28 US disclosed
US-8309712-B2 Synthesis of drospirenone in only eight steps; claimed intermediates; readily available raw materials; simple crystallization purification; no hazardous materials; yield RICHTER GEDEON NYRT. (HU) 2012-11-13 US disclosed
EP-1817326-B1 INDUSTRIAL PROCESS FOR THE PREPERATION OF 17-HYDROXY -6 BETA, 7-BETA, 15-BETA, 16-BETA-BISMETHYLENE-3-OXO 17-ALPHA PREGN-4-ENE-21-CARBOXYLIC ACID GAMMA-LACTONE AND KEY INTERMEDIATES FOR THIS PROCESS RICHTER GEDEON NYRT (HU) 2010-05-19 EP disclosed
EP-1831239-B1 A PROCESS FOR THE PREPARATION OF 17-HYDROXY-6 BETA, 7 BETA, 15 BETA, 16 BETA -BISMETHYLENE-17 ALPHA-PREGN-4-ENE-3-ONE-21-CARBOXYLIC ACID LAMBDA-LACTONE AND KEY-INTERMEDIATES FOR THIS PROCESS RICHTER GEDEON NYRT (HU) 2010-03-24 EP disclosed
US-20080200668-A1 Industrial Process for the Preparation of 17-Hydroxy-6Beta, 7Beta; 15Beta, 16Beta-Bismethylene-3-Oxo-17Alpha-Pregn-4-Ene-21-Carboxylic Acid Y-Lactone and Key Intermediates for this Process RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-08-21 US disclosed
US-20080194812-A1 Process for the Preparation of 17-Hydroxy-6Beta, 7Beta; 15Beta, 16Beta-Bismethylene- 17Alpha-Pregn-4-Ene-3-One-21-Carboxylic Acid Y-Lactone and Key Intermediates for this Process RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-08-14 US disclosed
EP-1817326-A1 INDUSTRIAL PROCESS FOR THE PREPERATION OF 17-HYDROXY -6 BETA, 7-BETA, 15-BETA, 16-BETA-BISMETHYLENE-3-OXO 17-ALPHA PREGN-4-ENE-21-CARBOXYLIC ACID GAMMA-LACTONE AND KEY INTERMEDIATES FOR THIS PROCESS Richter Gedeon Vegy Szeti Gy R Rt. (HU) 2007-08-15 EP disclosed
WO-2006059167-A1 INDUSTRIAL PROCESS FOR THE PREPARATION OF 17-HYDROXY-6β,7β;15β,16β-BISMETHYLENE-3-OXO-17α-PREGN-4-ENE-21-CARBOXYLIC ACID Ϝ-LACTONE AND KEY-INTERMEDIATES FOR THIS PROCESS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-06-08 WO 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-20080200668-A1 Industrial Process for the Preparation of 17-Hydroxy-6Beta, 7Beta; 15Beta, 16Beta-Bismethylene-3-Oxo-17Alpha-Pregn-4-Ene-21-Carboxylic Acid Y-Lactone and Key Intermediates for this Process HSD17B7, CYP17A1, HSD17B11 SMN1; SMN2 4777/4885SHBG 73/4885HIF1A 2470/4885
US-20080194812-A1 Process for the Preparation of 17-Hydroxy-6Beta, 7Beta; 15Beta, 16Beta-Bismethylene- 17Alpha-Pregn-4-Ene-3-One-21-Carboxylic Acid Y-Lactone and Key Intermediates for this Process CYP17A1, HSD17B7, HSD17B11 SMN1; SMN2 4863/4885SHBG 57/4885HIF1A 1279/4885

“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.