Butyl Fumarate

Butyl Fumarate

SCHEMBL1223794

CCCCOC(=O)/C=C\C(=O)O.O

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.96
ATM Q13315 1/20 0.80
MAPT P10636 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
ALDH1A1 P00352 1/20 0.48
APP P05067 2/20 0.46

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
Butyl Fumarate SCHEMBL43164 0.98 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL27358297 0.98 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL43165 0.98 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL124163 0.98 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Maleic Acid SCHEMBL28199237 0.98 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL29604195 0.98 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL4376900 0.98 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Maleic Acid SCHEMBL27358295 0.98 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL6905849 0.96 HCAR2 (0.96) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL18628256 0.96 HCAR2 (0.96) HCAR2ATMMAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024135645-A1 COMPOSITION 株式会社コーセー 2024-06-27 WO disclosed
US-11801207-B2 Water-in-oil emulsion sunscreen cosmetic SHISEIDO COMPANY, LTD. (JP) 2023-10-31 US disclosed
US-11759803-B2 Method for producing wearable coating KAO CORPORATION (JP) 2023-09-19 US disclosed
EP-3213742-B1 WATER-IN-OIL EMULSION SUNSCREEN COSMETIC SHISEIDO CO LTD (JP) 2023-09-06 EP disclosed
US-11583487-B2 Method for producing coating KAO CORPORATION (JP) 2023-02-21 US disclosed
CN-109069357-B Oil-in-water type emulsion cosmetic 株式会社资生堂 2022-08-30 CN disclosed
US-11338308-B2 Method for producing wearable coating KAO CORPORATION (JP) 2022-05-24 US disclosed
CN-114466645-A Liquid temporary hair dye composition 花王株式会社 2022-05-10 CN disclosed
CN-114344175-A Oil-in-water type emulsion cosmetic 株式会社资生堂 2022-04-15 CN disclosed
EP-3360534-B1 SPRAYABLE SUNSCREEN COSMETIC SHISEIDO CO LTD (JP) 2021-11-24 EP disclosed
EP-3213742-A1 WATER-IN-OIL EMULSION SUNSCREEN COSMETIC Shiseido Company Ltd. (JP) 2017-09-06 EP disclosed
US-9603788-B2 Hair styling composition MILBON CO., LTD. (JP) 2017-03-28 US disclosed
US-20150147285-A1 HAIR STYLING COMPOSITION MILBON CO., LTD. (JP) 2015-05-28 US disclosed
US-20110038824-A1 Emulsion-Type Hair-Dressing Preparation SHISEIDO COMPANY, LTD. (JP) 2011-02-17 US disclosed
EP-2248513-A1 EMULSION-TYPE HAIR-DRESSING PREPARATION Shiseido Company, Ltd. (JP) 2010-11-10 EP disclosed
US-20100247474-A1 COSMETIC HAIR PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20090326151-A1 HAIR COSMETIC KONISHI CO., LTD. (JP) 2009-12-31 US disclosed
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
EP-2039347-A1 COSMETIC HAIR PREPARATION Shiseido Company, Limited (JP) 2009-03-25 EP disclosed
US-20050053570-A1 Hair care products SHIN-ETSU CHEMICAL CO., LTD. OF (JP) 2005-03-10 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 (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-11801207-B2 Water-in-oil emulsion sunscreen cosmetic TYR, CUTA, LBR HCAR2 2507/4885ATM 220/4885MAPT 1208/4885
US-11583487-B2 Method for producing coating CUTA, KRT18, EPCAM HCAR2 1387/4885ATM 4037/4885MAPT 913/4885
US-20050053570-A1 Hair care products POLR1C, OXSR1, OR10J3 HCAR2 528/4885ATM 4025/4885MAPT 4486/4885
US-20100247474-A1 COSMETIC HAIR PREPARATION H1-0, H1-5, H1-10 HCAR2 214/4885ATM 3215/4885MAPT 4432/4885
US-11759803-B2 Method for producing wearable coating CUTA, KRT18, F12 HCAR2 1528/4885ATM 2016/4885MAPT 1350/4885
US-11338308-B2 Method for producing wearable coating CUTA, KRT18, EPCAM HCAR2 1298/4885ATM 2549/4885MAPT 1714/4885

“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.