Methacrylic Acid

Methacrylic Acid

SCHEMBL5987963

C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(CCC)C(=O)O.CN(C)C.CN(C)C.Cl

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 known ✓ O15379 3/20 0.37
HDAC1 known ✓ Q13547 3/20 0.37
HDAC2 known ✓ Q92769 3/20 0.37
HDAC8 known ✓ Q9BY41 3/20 0.37
EGFR known ✓ P00533 1/20 0.31
FFAR3 O14843 3/20 0.37
THRB P10828 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TET2 Q6N021 4/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
TET3 O43151 1/20 0.30
TET1 Q8NFU7 1/20 0.30

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
Methacrylic Acid SCHEMBL17003924 0.98 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL964726 0.94 HDAC3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL136533 0.94 HDAC3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
Methacrylic Acid SCHEMBL5162546 0.91 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL180002 0.91 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL29766120 0.91 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
Methacrylic Acid SCHEMBL8898659 0.91 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
Methacrylic Acid SCHEMBL8832528 0.91 ALOX15 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL154411 0.89 HDAC3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL1424158 0.89 HDAC3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001920-B2 Formate salt of O-desmethyl-venlafaxine WYETH (US) 2006-02-21 US claimed
EP-1519720-A2 NOVEL FORMATE SALT OF O-DESMETHYL-VENLAFAXINE Wyeth (US) 2005-04-06 EP claimed
US-20030236309-A1 Novel formate salt of O-desmethyl-venlafaxine WYETH 2003-12-25 US claimed
WO-2003103603-A2 NOVEL FORMATE SALT OF O-DESMETHYL-VENLAFAXINE WYETH (US) 2003-12-18 WO claimed
US-7154001-B2 Formate salt of O-desmethyl-venlafaxine WYETH (US) 2006-12-26 US disclosed
US-20060058552-A1 Novel formate salt of O-desmethyl-venlafaxine WYETH (US) 2006-03-16 US disclosed
US-7001920-B2 Formate salt of O-desmethyl-venlafaxine WYETH (US) 2006-02-21 US disclosed
EP-1519720-A2 NOVEL FORMATE SALT OF O-DESMETHYL-VENLAFAXINE Wyeth (US) 2005-04-06 EP disclosed
US-20030236309-A1 Novel formate salt of O-desmethyl-venlafaxine WYETH 2003-12-25 US disclosed
WO-2003103603-A2 NOVEL FORMATE SALT OF O-DESMETHYL-VENLAFAXINE WYETH (US) 2003-12-18 WO disclosed
US-20030087913-A1 Solid pharmaceutical agent formulation for a piperazine urea derivative SCHERING AG (DE) 2003-05-08 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-20030087913-A1 Solid pharmaceutical agent formulation for a piperazine urea derivative SLC14A1, UTS2R, SP1 HDAC3 938/4885HDAC1 411/4885HDAC2 122/4885
US-20060058552-A1 Novel formate salt of O-desmethyl-venlafaxine SLC6A3, SLC6A2, SLC6A4 HDAC3 293/4885HDAC1 481/4885HDAC2 402/4885
US-20030236309-A1 Novel formate salt of O-desmethyl-venlafaxine SLC6A3, SLC6A2, SLC6A4 HDAC3 293/4885HDAC1 481/4885HDAC2 402/4885

“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.