Levulinic Acid

Levulinic Acid

SCHEMBL377115

CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].O.O.[Ca+2]

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 known ✓ O15379 2/20 0.48
▸ HDAC1 known ✓ Q13547 2/20 0.48
▸ HDAC2 known ✓ Q92769 2/20 0.48
▸ HDAC8 known ✓ Q9BY41 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.59
▸ FFAR3 O14843 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SLC15A2 Q16348 1/20 0.48
▸ CA1 P00915 5/20 0.42
▸ BBOX1 O75936 3/20 0.37
▸ CES1 P23141 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35

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
Levulinic Acid SCHEMBL1683269 1.00 ALDH1A1 (0.59) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Levulinic Acid SCHEMBL116039 0.97 ALDH1A1 (0.62) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Levulinic Acid SCHEMBL30439842 0.94 ALDH1A1 (0.59) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Levulinic Acid SCHEMBL8418932 0.94 ALDH1A1 (0.59) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Levulinic Acid SCHEMBL8418934 0.94 ALDH1A1 (0.59) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Levulinic Acid SCHEMBL28938456 0.94 ALDH1A1 (0.59) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Levulinic Acid SCHEMBL25222492 0.91 ALDH1A1 (0.62) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Levulinic Acid SCHEMBL21815796 0.91 ALDH1A1 (0.62) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Levulinic Acid SCHEMBL10791493 0.91 ALDH1A1 (0.62) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Levulinic Acid SCHEMBL21815652 0.91 ALDH1A1 (0.62) ALDH1A1FFAR3HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408317-B1 DIETARY SUPPLEMENT GREENTEAM HOLDINGS LTD (GB) 2017-10-04 — — EP claimed
EP-2996495-A1 CALCIUM SUPPLEMENT Calinnova Ltd (GB) 2016-03-23 — — EP claimed
US-20150201650-A1 DIETARY SUPPLEMENT Greenteam Holdings Limited (GB) 2015-07-23 — — US claimed
WO-2014177876-A1 CALCIUM SUPPLEMENT CALINNOVA LTD (GB) 2014-11-06 — — WO claimed
US-20120121754-A1 Dietary Supplement CALLINOVA LTD (GB) 2012-05-17 — — US claimed
EP-2408317-A1 DIETARY SUPPLEMENT Calinnova Ltd (GB) 2012-01-25 — — EP claimed
WO-2010106351-A1 DIETARY SUPPLEMENT VETAFARM EUROPE LTD (GB) 2010-09-23 — — WO claimed
EP-2019584-B1 COMPOSITE PRODUCT FOR DIFFUSING AN ACTIVE AGENT SPADO S A (FR) 2009-12-02 — — EP claimed
US-20240261411-A1 PERMEATION ENHANCERS FOR GASTROINTESTINAL SYNTHETIC EPITHELIAL LININGS SYNTIS BIO, INC. 2024-08-08 — — US disclosed
EP-2408317-B1 DIETARY SUPPLEMENT GREENTEAM HOLDINGS LTD (GB) 2017-10-04 — — EP disclosed
EP-2996495-A1 CALCIUM SUPPLEMENT Calinnova Ltd (GB) 2016-03-23 — — EP disclosed
US-20150201650-A1 DIETARY SUPPLEMENT Greenteam Holdings Limited (GB) 2015-07-23 — — US disclosed
WO-2014177876-A1 CALCIUM SUPPLEMENT CALINNOVA LTD (GB) 2014-11-06 — — WO disclosed
US-8362306-B2 Energy densification of biomass-derived organic acids UNIVERSITY OF MAINE SYSTEM BOARD OF TRUSTEES (US) 2013-01-29 — — US disclosed
US-20120121754-A1 Dietary Supplement CALLINOVA LTD (GB) 2012-05-17 — — US disclosed
EP-2408317-A1 DIETARY SUPPLEMENT Calinnova Ltd (GB) 2012-01-25 — — EP disclosed
WO-2011053584-A1 ENERGY DENSIFICATION OF BIOMASS-DERIVED ORGANIC ACIDS UNIVERSITY OF MAINE SYSTEM BOARD OF TRUSTEES (US) 2011-05-05 — — WO disclosed
US-20110098503-A1 ENERGY DENSIFICATION OF BIOMASS-DERIVED ORGANIC ACIDS UNIVERSITY OF MAINE SYSTEM BOARD OF TRUSTEES 2011-04-28 — — US disclosed
WO-2010106351-A1 DIETARY SUPPLEMENT VETAFARM EUROPE LTD (GB) 2010-09-23 — — 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-20240261411-A1 PERMEATION ENHANCERS FOR GASTROINTESTINAL SYNTHETIC EPITHELIAL LININGS FABP2, SLC10A2, FABP6 HDAC3 2997/4885HDAC1 1687/4885HDAC2 1629/4885
US-20110098503-A1 ENERGY DENSIFICATION OF BIOMASS-DERIVED ORGANIC ACIDS ADH1C, ADH1A, ADH5 HDAC3 2809/4885HDAC1 2340/4885HDAC2 2263/4885

“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.

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