Cyclohexane

Cyclohexane

SCHEMBL4674354

C1CCCCC1.CC(C)O.O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Cyclohexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.31

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
Cyclohexane SCHEMBL744131 0.95 ALDH1A1 (0.67) ALDH1A1LMNATSHRTDP1TP53
Cyclopentane SCHEMBL9633785 0.95
Isopropyl Alcohol SCHEMBL782162 0.95
Cyclohexane SCHEMBL9221107 0.90 ALDH1A1 (0.60) ALDH1A1LMNATSHRTDP1TP53
Isopropyl Alcohol SCHEMBL27448530 0.84
Isopropyl Alcohol SCHEMBL1236799 0.84 ALDH1A1 (0.86) ALDH1A1LMNATSHRTDP1TP53
Isopropyl Alcohol SCHEMBL27381930 0.84 ALDH1A1 (0.86) ALDH1A1LMNATSHRTDP1TP53
Isopropyl Alcohol SCHEMBL9317726 0.84
Isopropyl Alcohol SCHEMBL150260 0.84
Cyclohexane SCHEMBL29188796 0.82 ALDH1A1 (0.50) ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115057756-A Method for separating cyclohexane-isopropanol-water by pervaporation extraction rectification process 青岛科技大学 2022-09-16 CN claimed
CN-116236816-A Composite sieve plate extraction tower and application thereof in low interfacial tension extraction system 浙江大学 2023-06-09 CN disclosed
CN-115057756-A Method for separating cyclohexane-isopropanol-water by pervaporation extraction rectification process 青岛科技大学 2022-09-16 CN disclosed
CN-115057756-A Method for separating cyclohexane-isopropanol-water by pervaporation extraction rectification process 青岛科技大学 2022-09-16 CN disclosed
CN-115057756-A Method for separating cyclohexane-isopropanol-water by pervaporation extraction rectification process 青岛科技大学 2022-09-16 CN disclosed
CN-114456039-A Partition wall tower type isopropanol solution molecular sieve membrane distillation separation and purification method 浙江天采云集科技股份有限公司 2022-05-10 CN disclosed
CN-114292165-A Partition wall tower type isopropanol solution adsorption, rectification, separation and purification method 四川天采科技有限责任公司 2022-04-08 CN disclosed
US-11046979-B2 Recombinant algal microorganisms having increased lipid production, and methods of making and using the same SYNTHETIC GENOMICS, INC. (US) 2021-06-29 US disclosed
US-20210163457-A1 CANAGLIFLOZIN MONOHYDRATE AND ITS CRYSTALLINE FORMS, PREPARATION METHODS AND USES THEREOF HANGZHOU SOLIPHARMA CO., LTD. (CN) 2021-06-03 US disclosed
EP-3827080-A1 MICROORGANISMS HAVING INCREASED LIPID PRODUCTION, AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME Synthetic Genomics, Inc. (US) 2021-06-02 EP disclosed
US-20170145000-A1 CANAGLIFLOZIN MONOHYDRATE AND ITS CRYSTALLINE FORMS, PREPARATION METHODS AND USES THEREOF HANGZHOU PUSHAI PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-05-25 US disclosed
EP-1544198-B1 A process for the preparation of crystalline losartan potassium DIPHARMA SPA (IT) 2008-06-04 EP disclosed
EP-1544198-A1 A process for the preparation of crystalline losartan potassium Dipharma S.p.A. (IT) 2005-06-22 EP disclosed
US-20050131040-A1 Process for the preparation of crystalline losartan potassium DIPHARMA S.P.A. (IT) 2005-06-16 US disclosed
EP-1363893-A1 PROCESS FOR PURIFICATION OF WARFARIN ACID, WARFARIN ALKALI METAL SALTS AND CORRESPONDING CLATHRATES TARO PHARMACEUTICALS U.S.A., INC. (US) 2003-11-26 EP disclosed
WO-2002070503-A1 PROCESS FOR PURIFICATION OF WARFARIN ACID, WARFARIN ALKALI METAL SALTS AND CORRESPONDING CLATHRATES TARO PHARMACEUTICALS U.S.A., INC. (US) 2002-09-12 WO disclosed
US-4076756-A Process for the preparation of triarylborane E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-02-28 US disclosed
US-4046815-A Process for the preparation of triarylborane E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-06 US disclosed
US-4045495-A Process for the preparation of triarylboranes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-08-30 US disclosed
US-3998800-A USING A NONPOLAR HYDROCARBON, AN ALCOHOL AND WATER THE PROCTER & GAMBLE COMPANY (US) 1976-12-21 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 (3 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-20170145000-A1 CANAGLIFLOZIN MONOHYDRATE AND ITS CRYSTALLINE FORMS, PREPARATION METHODS AND USES THEREOF SLC5A2, SLC5A1, GCG ALDH1A1 2379/4885LMNA 2730/4885TSHR 4311/4885
US-20210163457-A1 CANAGLIFLOZIN MONOHYDRATE AND ITS CRYSTALLINE FORMS, PREPARATION METHODS AND USES THEREOF SLC5A2, SLC5A1, GCG ALDH1A1 2379/4885LMNA 2730/4885TSHR 4311/4885
US-20050131040-A1 Process for the preparation of crystalline losartan potassium REN, AGT, ACE ALDH1A1 1488/4885LMNA 241/4885TSHR 3031/4885

“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.