Fumaric Acid

Fumaric Acid

SCHEMBL21145333

CCCNCCC.CCCNCCC.O=C(O)/C=C/C(=O)O

nearest known ligand 0.47

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 17)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 1/20 0.36
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.47
HCAR2 Q8TDS4 6/20 0.46
PAOX Q6QHF9 1/20 0.46
ADH1B P00325 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35

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 SCHEMBL21145335 1.00 TSHR (0.47) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL27758137 0.90 HCAR2 (0.43) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL6904086 0.85 HCAR2 (0.50) TSHRTP53EGLN1EGLN3HCAR2
Bicarbonate SCHEMBL28444878 0.83 PAOX (0.54) TSHRPAOXADH1BADH1AADH7
Fumaric Acid SCHEMBL28162972 0.82 TSHR (0.45) TSHRTP53EGLN1EGLN3HCAR2
Acrylic Acid SCHEMBL4597109 0.82 LMNA (0.50) TSHRPAOXADH1BADH1AADH7
Fumaric Acid SCHEMBL11249020 0.81 ALDH1A1 (0.56) TSHRHCAR2ADH1BADH1AADH7
Maleic Acid SCHEMBL11249013 0.81 ALDH1A1 (0.56) TSHRHCAR2ADH1BADH1AADH7
SCHEMBL6014632 0.81 PAOX (0.46) PAOXDRD2DRD4DRD3
Oxalic Acid SCHEMBL21145054 0.80 PAOX (0.52) TSHRPAOXADH1BADH1AADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2020-06-11 US disclosed
US-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-08-08 US disclosed
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 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 (4 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-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, S100A10 DRD2 2170/4885TSHR 3146/4885TP53 2105/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK DRD2 1345/4885TSHR 1850/4885TP53 2548/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA DRD2 2120/4885TSHR 3345/4885TP53 1209/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 DRD2 1358/4885TSHR 2235/4885TP53 1442/4885

“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.