Cyclohexane

Cyclohexane

SCHEMBL3243832

C1CCCCC1.CCOC(=O)CCC(C)=O

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
LMNA P02545 4/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.46
TRPA1 O75762 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL92709 0.93 GAA (0.55) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11699403 0.91 GAA (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL28158933 0.91 GAA (0.52) CYP1A2GAAMGAMSIMGAM2
Water SCHEMBL9797230 0.91 GAA (0.52) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL27646294 0.91 GAA (0.57) CYP1A2GAAMGAMSIMGAM2
Acetic Acid SCHEMBL1326418 0.88 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
Acetic Acid SCHEMBL11060538 0.88 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
Acetic Acid SCHEMBL4559194 0.88 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
Acetic Acid SCHEMBL9525462 0.88 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
Acetic Acid SCHEMBL7695273 0.88 GAA (0.50) CYP1A2GAAMGAMSIMGAM2

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 36 patents — showing the first 20. 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 claimed
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 claimed
CN-101061132-B Process for the preparation of 17-hydroxy-6 beta, 7 beta, 15 beta, 16 beta-dimethylene-17 alpha-pregn-4-en-3-one-21-carboxylic acid gamma-lactone and key intermediates used in the process RICHTER GEDEON VEGYESZET 2011-03-30 CN claimed
CN-101061133-B Industrial process for the preparation of 17-hydroxy-6 beta, 7 beta, 15 beta, 16 beta-dimethylene-3-oxo-17 alpha pregn-4-ene-21-hydroxyacid gamma-lactone and key intermediates used in the process RICHTER GEDEON VEGYZET 2011-01-26 CN claimed
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 claimed
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 claimed
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 claimed
CN-101061133-A Industrial process for the preparation of 17-hydroxy-6 beta, 7 beta, 15 beta, 16 beta-dimethylene-3-oxo-17 alpha pregn-4-ene-21-carboxylic acid gamma-lactone and key intermediates used in the process RICHTER GEDEON VEGYZETI GYAR R (HU) 2007-10-24 CN claimed
CN-101061132-A Process for the preparation of 17-hydroxy-6 beta, 7 beta, 15 beta, 16 beta-dimethylene-17 alpha-pregn-4-en-3-one-21-carboxylic acid gamma-lactone and key intermediates used in the process RICHTER GEDEON VEGYZETI GYAR R (HU) 2007-10-24 CN claimed
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 claimed
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 claimed
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
CN-101061132-B Process for the preparation of 17-hydroxy-6 beta, 7 beta, 15 beta, 16 beta-dimethylene-17 alpha-pregn-4-en-3-one-21-carboxylic acid gamma-lactone and key intermediates used in the process RICHTER GEDEON VEGYESZET 2011-03-30 CN disclosed
CN-101061133-B Industrial process for the preparation of 17-hydroxy-6 beta, 7 beta, 15 beta, 16 beta-dimethylene-3-oxo-17 alpha pregn-4-ene-21-hydroxyacid gamma-lactone and key intermediates used in the process RICHTER GEDEON VEGYZET 2011-01-26 CN disclosed
EP-0790994-A1 HETEROCYCLE SUBSTITUTED PROPENOIC ACID DERIVATIVES AS NMDA ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1997-08-27 EP disclosed
US-5563157-A EXCITATORY AMINO ACID ANTAGONISTS HOECHST MARION ROUSSEL INC. (US) 1996-10-08 US disclosed
WO-1996013501-A1 HETEROCYCLE SUBSTITUTED PROPENOIC ACID DERIVATIVES AS NMDA ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1996-05-09 WO disclosed
US-4321275-A ANIMAL HUSBANDRY IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-03-23 US disclosed
EP-0035412-A1 Amidotetrazole compounds and processes for their preparation GLAXO GROUP LIMITED (GB) 1981-09-09 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-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 CYP1A2 52/4885GAA 1478/4885MGAM 400/4885
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 CYP1A2 54/4885GAA 1795/4885MGAM 1098/4885

“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.