Furfural

Furfural

SCHEMBL896786

O.O=Cc1ccco1.O=Cc1ccco1

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Furfural. 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
MEN1 known ✓ O00255 7/20 0.44
THRB known ✓ P10828 1/20 0.40
ALDH1A1 P00352 7/20 0.95
HCAR2 Q8TDS4 1/20 0.48
MAPT P10636 9/20 0.45
POLB P06746 7/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 8/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
BLM P54132 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MASP2 O00187 1/20 0.44
F2 P00734 1/20 0.44
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
Furfural SCHEMBL28976274 1.00
Furfural SCHEMBL20439 0.97
Furfural SCHEMBL626705 0.97 ALDH1A1 (1.00) ALDH1A1HCAR2MAPTPOLBL3MBTL1
Furfural SCHEMBL10811266 0.97 ALDH1A1 (1.00) ALDH1A1HCAR2MAPTPOLBL3MBTL1
Furfural SCHEMBL11720194 0.95
Furfural SCHEMBL11763411 0.95
Furfural SCHEMBL2978794 0.95
Furfural SCHEMBL29854165 0.95
Furfural SCHEMBL2197116 0.95
Furfural SCHEMBL29491010 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240367156-A1 IRON-COBALT-BASED MAGNETICALLY RECOVERABLE CATALYSTS AND METHOD OF PREPARATION THEREOF KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2024-11-07 US disclosed
CN-110330470-B Method for purifying biomass-based furan compounds by Schiff base reaction 广西科学院 2022-02-01 CN disclosed
CN-111057594-B Preparation method of alcohol-based fuel additive 李旭 2021-10-29 CN disclosed
CN-111057594-A Preparation method of alcohol-based fuel additive 李旭 2020-04-24 CN disclosed
CN-110330470-A A method of realizing that biomass-based furfuran compound purifies using Schiff reaction 广西科学院 2019-10-15 CN disclosed
CN-105801528-B With metal catalyst reduction HMF ether 阿彻丹尼尔斯米德兰德公司 2019-06-21 CN disclosed
US-9783516-B2 Reduction of HMF ethers with metal catalyst ARCHER DANIELS MIDLAND CO. (US) 2017-10-10 US disclosed
CN-104744414-B Oxidation Of Furfural Compounds 阿彻丹尼尔斯米德兰德公司 2017-04-12 CN disclosed
CN-103626639-B With metal catalyst reduction HMF ether 阿彻丹尼尔斯米德兰德公司 2016-12-07 CN disclosed
US-20160297788-A1 REDUCTION OF HMF ETHERS WITH METAL CATALYST ARCHER DANIELS MIDLAND CO (US) 2016-10-13 US disclosed
US-20090131690-A1 METHOD FOR THE SYNTHESIS OF 5-ALKOXYMETHYL FURFURAL ETHERS AND THEIR USE FURANIX TECHNOLOGIES B.V. (NL) 2009-05-21 US disclosed
EP-2004620-A2 METHOD FOR THE SYNTHESIS OF 5-ALKOXYMETHYL FURFURAL ETHERS AND THEIR USE Furanix Technologies B.V (NL) 2008-12-24 EP disclosed
WO-2007104514-A3 METHOD FOR THE SYNTHESIS OF 5-ALKOXYMETHYL FURFURAL ETHERS AND THEIR USE AVANTIUM INT BV (NL) 2007-12-13 WO disclosed
WO-2007104514-A2 METHOD FOR THE SYNTHESIS OF 5-ALKOXYMETHYL FURFURAL ETHERS AND THEIR USE FURANIX TECHNOLOGIES B.V. (NL) 2007-09-20 WO disclosed
EP-1027288-B1 STABILIZED CONCENTRATES OF WATER UNSTABLE AZA COMPOUNDS AND O/W MINIEMULSIONS THEREOF ISP INVESTMENTS INC (US) 2003-09-03 EP disclosed
EP-1027288-A4 STABILIZED CONCENTRATES OF WATER UNSTABLE AZA COMPOUNDS AND O/W MINIEMULSIONS THEREOF ISP INVESTMENTS INC (US) 2001-07-18 EP disclosed
US-6255350-B1 OIL IN WATER MICROEMULSION ISP INVESTMENTS INC. 2001-07-03 US disclosed
EP-1027288-A2 STABILIZED CONCENTRATES OF WATER UNSTABLE AZA COMPOUNDS AND O/W MINIEMULSIONS THEREOF ISP INVESTMENTS INC. (US) 2000-08-16 EP disclosed
WO-1999019256-A2 STABILIZED CONCENTRATES OF WATER UNSTABLE AZA COMPOUNDS AND O/W MINIEMULSIONS THEREOF ISP INVESTMENTS INC. (US) 1999-04-22 WO disclosed
CN-1034159-A No Rubber compacting corn stalk Wood-based Panel Production technology SIPING CITY CEMENT PLANT JILIN (CN) 1989-07-26 CN 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 (1 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-20160297788-A1 REDUCTION OF HMF ETHERS WITH METAL CATALYST PHF2, ZRANB2, TERF2 MEN1 129/4885THRB 4051/4885ALDH1A1 3921/4885

“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.