Butanol

Butanol

SCHEMBL2174043

CCC(C)O.CO.ClC(Cl)Cl.O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Butanol. 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
TSHR P16473 5/20 0.67
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.32
LMNA P02545 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
Butanol SCHEMBL11279708 0.93
Butanol SCHEMBL16871719 0.89
Butanol SCHEMBL5474908 0.86
Butanol SCHEMBL1396329 0.86
Butanol SCHEMBL28447139 0.82
Butanol SCHEMBL27549073 0.82 TSHR (0.83) TSHRALDH1A1TDP1HSD17B10LMNA
Butanol SCHEMBL28132159 0.82
Butanol SCHEMBL28000288 0.82
Butanol SCHEMBL2012224 0.82 TSHR (1.00) TSHRALDH1A1TDP1HSD17B10LMNA
Butanol SCHEMBL55899 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324177-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2012-12-04 US disclosed
US-20110294752-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2011-12-01 US disclosed
EP-1079824-B1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RES DEV FOUNDATION (US) 2011-08-31 EP disclosed
US-7985435-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2011-07-26 US disclosed
US-20100189824-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF ARNTZEN CHARLES J 2010-07-29 US disclosed
US-7670632-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2010-03-02 US disclosed
EP-1079824-A4 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RES DEV FOUNDATION (US) 2008-03-12 EP disclosed
EP-1355642-A4 INHIBITION OF NF-(k)B BY TRITERPENE COMPOSITIONS RES DEV FOUNDATION (US) 2007-04-04 EP disclosed
US-7105186-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2006-09-12 US disclosed
US-20060148732-A1 Inhibition of NF-kappaB by triterpene compositions RESEARCH DEVELOPMENT FOUNDATION 2006-07-06 US disclosed
US-6689398-B2 CONTROLLING APOPTOSIS; ANTITUMOR AGENT; GLYCYRRHETINIC ACID MIXTURES RESEARCH DEVELOPMENT FOUNDATION 2004-02-10 US disclosed
US-20030203049-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION 2003-10-30 US disclosed
EP-1355642-A2 INHIBITION OF NF-(k)B BY TRITERPENE COMPOSITIONS RESEARCH DEVELOPMENT FOUNDATION (US) 2003-10-29 EP disclosed
US-20030054052-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION 2003-03-20 US disclosed
US-20030039705-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION 2003-02-27 US disclosed
US-20030031738-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2003-02-13 US disclosed
US-6444233-B1 ANTITUMOR AGENTS RESEARCH DEVELOPMENT FOUNDATION 2002-09-03 US disclosed
WO-2002055016-A2 INHIBITION OF NF-λB BY TRITERPENE COMPOSITIONS RES DEV FOUNDATION (US) 2002-07-18 WO disclosed
EP-1079824-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (a Nevada corporation) (US) 2001-03-07 EP disclosed
WO-1999059578-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 1999-11-25 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 (7 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-20030203049-A1 Triterpene compositions and methods for use thereof OSTC, ACACA, NFATC1 TSHR 3986/4885ALDH1A1 2759/4885TDP1 3162/4885
US-20110294752-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF OSTC, ACACA, NFATC1 TSHR 3986/4885ALDH1A1 2759/4885TDP1 3162/4885
US-20100189824-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF OSTC, ACACA, NFATC1 TSHR 3986/4885ALDH1A1 2759/4885TDP1 3162/4885
US-20030031738-A1 Triterpene compositions and methods for use thereof OSTC, ACACA, NFATC1 TSHR 3986/4885ALDH1A1 2759/4885TDP1 3162/4885
US-20030039705-A1 Triterpene compositions and methods for use thereof BAX, CASP3, ACACA TSHR 3311/4885ALDH1A1 2361/4885TDP1 3173/4885
US-20060148732-A1 Inhibition of NF-kappaB by triterpene compositions NFKBIA, NFKB2, RELA TSHR 4781/4885ALDH1A1 1797/4885TDP1 4047/4885
US-20030054052-A1 Triterpene compositions and methods for use thereof OSTC, ACACA, NFATC1 TSHR 3986/4885ALDH1A1 2759/4885TDP1 3162/4885

“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.