Malonic Acid

Malonic Acid

SCHEMBL957648

O.O.O.O.O=C(O)CC(=O)O.[Cu]

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 known ✓ O15379 1/20 0.33
HDAC1 known ✓ Q13547 1/20 0.33
HDAC2 known ✓ Q92769 1/20 0.33
HDAC8 known ✓ Q9BY41 1/20 0.33
LDHA P00338 1/20 0.82
SRR Q9GZT4 1/20 0.82
LMNA P02545 3/20 0.43
EGLN1 Q9GZT9 2/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
TSHR P16473 5/20 0.40
FFAR3 O14843 2/20 0.40
GLRA1 P23415 1/20 0.40
SLC6A9 P48067 1/20 0.40
OR51E2 Q9H255 1/20 0.40
KDM4E B2RXH2 2/20 0.38
SLC22A6 Q4U2R8 2/20 0.38
CYP2D6 P10635 3/20 0.35
ALOX15 P16050 2/20 0.35
CYP2C19 P33261 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
Malonic Acid SCHEMBL22466327 1.00
Malonic Acid SCHEMBL2321038 0.95
Malonic Acid SCHEMBL4306981 0.95
Malonic Acid SCHEMBL333874 0.95
Malonic Acid SCHEMBL11714473 0.91 LDHA (0.82) LDHASRRLMNAEGLN1ALKBH5
Malonic Acid SCHEMBL2823867 0.91
Malonic Acid SCHEMBL4620519 0.91
Malonic Acid SCHEMBL11137385 0.91
Malonic Acid SCHEMBL4365586 0.91 LDHA (0.82) LDHASRRLMNAEGLN1ALKBH5
Malonic Acid SCHEMBL15353415 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1816116-B3 Chemical compositions and methods of making them OMP INC (US) 2016-08-03 EP disclosed
US-8952057-B2 Compositions for anorectal use and methods for treating anorectal disorders JR CHEM, LLC (US) 2015-02-10 US disclosed
US-20140248221-A1 COMPOSITIONS FOR ORAL USE AND METHODS FOR TREATING THE ORAL MUCOSA, LIPS, AND PERIORAL REGIONS JR CHEM, LLC (US) 2014-09-04 US disclosed
US-20140228744-A1 APPLIANCES AND COMPOSITIONS FOR ORAL USE AND METHODS FOR TREATING THE ORAL MUCOSA, LIPS, AND PERIORAL REGIONS JR CHEM, LLC (US) 2014-08-14 US disclosed
EP-1993569-B1 ANTI-AGING TREATMENT USING COPPER AND ZINC COMPOSITIONS OMP INC (US) 2014-07-23 EP disclosed
EP-2718299-A1 APPLIANCES AND COMPOSITIONS FOR ORAL USE AND METHODS FOR TREATING THE ORAL MUCOSA, LIPS, AND PERIORAL REGIONS JR Chem, LLC (US) 2014-04-16 EP disclosed
EP-1816116-B1 Chemical compositions and methods of making them JR CHEMICALS (US) 2013-11-27 EP disclosed
US-8505730-B2 Compositions, kits and regimens for the treatment of skin, especially décolletage JR CHEM, LLC (US) 2013-08-13 US disclosed
WO-2012174076-A1 APPLIANCES AND COMPOSITIONS FOR ORAL USE AND METHODS FOR TREATING THE ORAL MUCOSA, LIPS, AND PERIORAL REGIONS JR CHEM, LLC (US) 2012-12-20 WO disclosed
US-20120315224-A1 APPLIANCES AND COMPOSITIONS FOR ORAL USE AND METHODS FOR TREATING THE ORAL MUCOSA, LIPS, AND PERIORAL REGIONS JR CHEM, LLC 2012-12-13 US disclosed
EP-2087880-A2 Compositions, kits and regimens for the treatment of skin, especially décolletage Jr Chem, LLC (US) 2009-08-12 EP disclosed
US-20090176876-A1 COMPOSITIONS, KITS AND REGIMENS FOR THE TREATMENT OF SKIN, ESPECIALLY DECOLLETAGE JR CHEM, LLC (US) 2009-07-09 US disclosed
EP-1993569-A1 ANTI-AGING TREATMENT USING COPPER AND ZINC COMPOSITIONS Jr Chem, LLC (US) 2008-11-26 EP disclosed
WO-2008042197-A1 METHOD OF WOUND/BURN HEALING USING COPPER-ZINC COMPOSITIONS JR CHEM, LLC (US) 2008-04-10 WO disclosed
US-20080081077-A1 Method of wound/burn healing using copper-zinc compositions LSSF II OFFSHORE INVESTMENTS, LP, AS ADMINISTRATIVE AGENT (CA) 2008-04-03 US disclosed
US-20070203354-A1 Chemical Compositions and Methods of Making Them LSSF II OFFSHORE INVESTMENTS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-08-30 US disclosed
US-20070191620-A1 Chemical compositions and methods of making them LSSF II OFFSHORE INVESTMENTS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-08-16 US disclosed
WO-2007089267-A1 ANTI-AGING TREATMENT USING COPPER AND ZINC COMPOSITIONS JR CHEM, LLC (US) 2007-08-09 WO disclosed
US-20070184017-A1 Anti-aging treatment using copper and zinc compositions LSSF II OFFSHORE INVESTMENTS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-08-09 US disclosed
EP-1816116-A1 Chemical compositions and methods of making them JR Chemicals (US) 2007-08-08 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 (6 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-20140228744-A1 APPLIANCES AND COMPOSITIONS FOR ORAL USE AND METHODS FOR TREATING THE ORAL MUCOSA, LIPS, AND PERIORAL REGIONS FABP6, ALPI, KRT18 HDAC3 408/4885HDAC1 110/4885HDAC2 216/4885
US-20120315224-A1 APPLIANCES AND COMPOSITIONS FOR ORAL USE AND METHODS FOR TREATING THE ORAL MUCOSA, LIPS, AND PERIORAL REGIONS FABP6, ALPI, KRT18 HDAC3 408/4885HDAC1 110/4885HDAC2 216/4885
US-20070203354-A1 Chemical Compositions and Methods of Making Them PARG, PCBP1, POLI HDAC3 3571/4885HDAC1 3923/4885HDAC2 4371/4885
US-20090176876-A1 COMPOSITIONS, KITS AND REGIMENS FOR THE TREATMENT OF SKIN, ESPECIALLY DECOLLETAGE RARG, RARA, RXRG HDAC3 597/4885HDAC1 864/4885HDAC2 1602/4885
US-20070191620-A1 Chemical compositions and methods of making them SOD1, CA6, SOD3 HDAC3 3318/4885HDAC1 2933/4885HDAC2 4282/4885
US-20140248221-A1 COMPOSITIONS FOR ORAL USE AND METHODS FOR TREATING THE ORAL MUCOSA, LIPS, AND PERIORAL REGIONS FABP2, MUC1, LPO HDAC3 1675/4885HDAC1 1504/4885HDAC2 2353/4885

“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.