Fumaric Acid

Fumaric Acid

SCHEMBL4113036

CNCc1c(OCC2CC2)ccc2c(CCC3CCN(c4ncccn4)CC3)noc12.O=C(O)/C=C/C(=O)O

nearest known ligand 0.42

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 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.42
BCHE P06276 4/20 0.42
CHRM4 P08173 1/20 0.34
RBP4 P02753 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
GRM2 Q14416 1/20 0.33

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 SCHEMBL4113041 1.00 ACHE (0.42) ACHEBCHECHRM4RBP4KDM4E
SCHEMBL4132996 0.93 ACHE (0.42) ACHEBCHEGRM2
Fumaric Acid SCHEMBL4113730 0.89 ACHE (0.40) ACHEBCHEPPARGPPARDPPARA
Fumaric Acid SCHEMBL4113738 0.89 ACHE (0.40) ACHEBCHEPPARGPPARDPPARA
Fumaric Acid SCHEMBL4130137 0.88 ACHE (0.39) ACHEBCHE
Fumaric Acid SCHEMBL4130132 0.88 ACHE (0.39) ACHEBCHE
Fumaric Acid SCHEMBL4113038 0.87 ACHE (0.42) ACHEBCHECHRM4
SCHEMBL4122006 0.81 ACHE (0.42) ACHEBCHEGRM2
SCHEMBL4121344 0.81 ACHE (0.39) ACHEBCHE
Fumaric Acid SCHEMBL4127846 0.81 ACHE (0.42) ACHEBCHECHRM4PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 ACHE 3716/4885BCHE 2215/4885CHRM4 234/4885

“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.