Fumaric Acid

Fumaric Acid

SCHEMBL5659800

Cc1cccc(CCN2CCC(CN3Cc4ccccc4C3=O)CC2)c1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 1/20 0.49
DRD2 known ✓ P14416 1/20 0.40
PARP1 P09874 4/20 0.54
PARP2 Q9UGN5 3/20 0.54
HTR1A P08908 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
ACHE P22303 2/20 0.49
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
CCR3 P51677 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD4 P21917 1/20 0.40

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
Fumaric Acid SCHEMBL5659804 1.00 PARP1 (0.54) PARP1PARP2HTR1AHTR2ATMEM97
Fumaric Acid SCHEMBL5658705 0.89 TMEM97 (0.56) PARP1HTR1AHTR2ATMEM97ACHE
Fumaric Acid SCHEMBL5658700 0.89 TMEM97 (0.56) PARP1HTR1AHTR2ATMEM97ACHE
Fumaric Acid SCHEMBL5660364 0.89 HTR1A (0.53) HTR1AHTR2ATMEM97ACHESIGMAR1
Fumaric Acid SCHEMBL5660370 0.89 HTR1A (0.53) HTR1AHTR2ATMEM97ACHESIGMAR1
Fumaric Acid SCHEMBL5658504 0.86 HTR1A (0.50) PARP1PARP2HTR1AHTR2ATMEM97
Fumaric Acid SCHEMBL5658505 0.86 HTR1A (0.50) PARP1PARP2HTR1AHTR2ATMEM97
Fumaric Acid SCHEMBL5249516 0.85 HTR7 (0.47) PARP1PARP2HTR1AHTR2ATMEM97
Fumaric Acid SCHEMBL5249513 0.85 HTR7 (0.47) PARP1PARP2HTR1AHTR2ATMEM97
Fumaric Acid SCHEMBL5247982 0.84 HTR1A (0.64) PARP1PARP2HTR1AHTR2ATMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 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 (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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 HTR2A 153/4885DRD2 402/4885PARP1 4235/4885

“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.