Cyclohexane

Cyclohexane

SCHEMBL368257

C1CCCCC1.COC(=O)OC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 3/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CA2 P00918 4/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS1 P23219 1/20 0.35
MMP12 P39900 1/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
MMP2 P08253 3/20 0.35
CA9 Q16790 3/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
NFKB1 P19838 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Cyclopropane SCHEMBL307368 1.00
SCHEMBL29389744 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRKEAP1NFE2L2
SCHEMBL4971363 0.88
SCHEMBL20796 0.88
SCHEMBL4748477 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRKEAP1NFE2L2
Ammonia Solution, Strong SCHEMBL49807 0.84
SCHEMBL17289281 0.84
SCHEMBL6726489 0.84
SCHEMBL8475485 0.84
Water SCHEMBL6169197 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107954845-B Process for purifying 4-hydroxyacetophenone 西姆莱斯有限公司 2022-08-19 CN claimed
US-10981854-B2 Method for purification of 4-hydroxyacetophenone SYMRISE AG (DE) 2021-04-20 US claimed
US-20210002200-A1 METHOD FOR PURIFICATION OF 4-HYDROXYACETOPHENONE SYMRISE AG (DE) 2021-01-07 US claimed
US-10752571-B2 Method for purification of 4-hydroxyacetophenone SYMRISE AG (DE) 2020-08-25 US claimed
US-20200039911-A1 METHOD FOR PURIFICATION OF 4-HYDROXYACETOPHENONE SYMRISE AG (DE) 2020-02-06 US claimed
US-11820752-B2 Process for the preparation of apalutamide OLON S.P.A. (IT) 2023-11-21 US disclosed
CN-117062796-A Crystallization of 4-hydroxyacetophenone using ethanol and ethyl acetate 西姆莱斯有限公司 2023-11-14 CN disclosed
EP-3802515-B1 PROCESS FOR THE PREPARATION OF APALUTAMIDE OLON SPA (IT) 2023-05-10 EP disclosed
CN-107954845-B Process for purifying 4-hydroxyacetophenone 西姆莱斯有限公司 2022-08-19 CN disclosed
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2021-11-25 US disclosed
US-20210206742-A1 PROCESS FOR THE PREPARATION OF APALUTAMIDE OLON S.P.A. (IT) 2021-07-08 US disclosed
US-10981854-B2 Method for purification of 4-hydroxyacetophenone SYMRISE AG (DE) 2021-04-20 US disclosed
EP-2118074-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-11-18 EP disclosed
EP-1427697-B1 SULPHONATION OF PHENOLS GREAT LAKES CHEMICAL EUROP (CH) 2008-12-24 EP disclosed
US-20080188467-A1 To regulate the expression of apolipoprotein A-I; atherosclerosis; improved pharmacological properties; 3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxyisoquinolin-1(2H)-one; to reduce cholesterol levels; agonists HEPALINK (HONG KONG) LIMITED (HK) 2008-08-07 US disclosed
WO-2008092231-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2008-08-07 WO disclosed
US-6936732-B2 Sulphonation of phenols ADDIVANT USA, LLC 2005-08-30 US disclosed
US-20050054876-A1 Sulphonation of phenols ADDIVANT USA, LLC 2005-03-10 US disclosed
EP-1427697-A1 SULPHONATION OF PHENOLS Great Lakes Chemical (Europe) GmbH (CH) 2004-06-16 EP disclosed
WO-2003027063-A1 SULPHONATION OF PHENOLS GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 2003-04-03 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 (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-20050054876-A1 Sulphonation of phenols CBR3, C1S, C1R ALDH1A1 3616/4885SMN1; SMN2 4730/4885TSHR 329/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885SMN1; SMN2 3476/4885TSHR 3859/4885
US-11820752-B2 Process for the preparation of apalutamide AR, GNRHR, ACP3 ALDH1A1 1972/4885SMN1; SMN2 4645/4885TSHR 907/4885
US-20210206742-A1 PROCESS FOR THE PREPARATION OF APALUTAMIDE AR, GNRHR, ACP3 ALDH1A1 1972/4885SMN1; SMN2 4645/4885TSHR 907/4885
US-20080188467-A1 To regulate the expression of apolipoprotein A-I; atherosclerosis; improved pharmacological properties; 3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxyisoquinolin-1(2H)-one; to reduce cholesterol levels; agonists APOB, LDLR, APOL1 ALDH1A1 1784/4885SMN1; SMN2 4696/4885TSHR 2704/4885

“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.