Fumaric Acid

Fumaric Acid

SCHEMBL21145149

CC(C)NC(C)C.CC(C)NC(C)C.O=C(O)/C=C/C(=O)O

nearest known ligand 0.61

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
GAA P10253 2/20 0.61
TSHR P16473 3/20 0.53
TP53 P04637 1/20 0.53
EGLN1 Q9GZT9 1/20 0.53
EGLN3 Q9H6Z9 1/20 0.53
HCAR2 Q8TDS4 4/20 0.48
TDP1 Q9NUW8 2/20 0.47
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 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
Fumaric Acid SCHEMBL21145151 1.00 ALDH1A1 (0.61) ALDH1A1GAATSHRTP53EGLN1
Crotonic Acid SCHEMBL3409842 0.87 ALDH1A1 (0.48) ALDH1A1GAATSHRTP53EGLN1
Bicarbonate SCHEMBL8871100 0.81 TDP1 (0.61) ALDH1A1GAATSHRTP53TDP1
Fumaric Acid SCHEMBL1832358 0.80 ALDH1A1 (0.52) ALDH1A1GAATSHRTP53EGLN1
Maleic Acid SCHEMBL5875132 0.80 ALDH1A1 (0.52) ALDH1A1GAATSHRTP53EGLN1
(2E)-Hexenoic Acid SCHEMBL3414434 0.79 TAS1R3 (0.47) ALDH1A1GAATSHRHCAR2TDP1
Oxalic Acid SCHEMBL21145225 0.78 TDP1 (0.57) ALDH1A1GAATSHRTP53TDP1
Bicarbonate SCHEMBL20542224 0.78 TDP1 (0.57) ALDH1A1GAATSHRTP53TDP1
Acetic Acid SCHEMBL1114492 0.78 TDP1 (0.57) ALDH1A1GAATSHRTP53TDP1
Oxalic Acid SCHEMBL21145223 0.78 TDP1 (0.57) ALDH1A1GAATSHRTP53TDP1

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-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216714-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 ALDH1A1 1010/4885GAA 3537/4885TSHR 3146/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK ALDH1A1 3629/4885GAA 4733/4885TSHR 1850/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA ALDH1A1 1465/4885GAA 3281/4885TSHR 3345/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 ALDH1A1 1179/4885GAA 3616/4885TSHR 2235/4885

“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.