Fumaric Acid

Fumaric Acid

SCHEMBL6580691

O=C(O)/C=C/C(=O)O.OC1C2(CCCCC2)[C@]1(O)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.43

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 15)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.43
KMT2A known ✓ Q03164 1/20 0.43
DRD2 known ✓ P14416 2/20 0.39
HTR7 P34969 8/20 0.43
HTR1A P08908 3/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.39

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
Maleic Acid SCHEMBL6583290 1.00 HTR7 (0.43) HTR7MEN1KMT2AHTR1AADRA1A
Fumaric Acid SCHEMBL6581608 1.00 HTR7 (0.43) HTR7MEN1KMT2AHTR1AADRA1A
SCHEMBL6217147 0.92 MEN1 (0.46) HTR7MEN1KMT2AHTR1AADRA1A
SCHEMBL6217205 0.92 MEN1 (0.46) HTR7MEN1KMT2AHTR1AADRA1A
SCHEMBL6219114 0.91 MEN1 (0.47) HTR7MEN1KMT2AHTR1AADRA1A
SCHEMBL6216542 0.91 MEN1 (0.47) HTR7MEN1KMT2AHTR1AADRA1A
Cadaverine Tartrate SCHEMBL6218477 0.88 MEN1 (0.42) HTR7MEN1KMT2AHTR1AADRA1A
Cadaverine Tartrate SCHEMBL6217849 0.86 MEN1 (0.43) HTR7MEN1KMT2AHTR1AADRA1A
SCHEMBL6581679 0.86 SIGMAR1 (0.42) HTR7MEN1KMT2AHTR1AADRA1A
SCHEMBL6581687 0.86 SIGMAR1 (0.42) HTR7MEN1KMT2AHTR1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835734-B2 (S)-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol cyclic acetals, useful as intermediates for the preparation of levodropropizine Dompé S.p.A. (IT) 2004-12-28 US claimed
EP-1307441-B1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY DOMPE SPA (IT) 2004-05-06 EP claimed
US-20040038989-A1 1,3-dioxolanes with antitussive activity DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-02-26 US claimed
EP-1307441-A1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY Dompe' S.P.A. (IT) 2003-05-07 EP claimed
WO-2002010149-A1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY DOMPE' S.P.A. (IT) 2002-02-07 WO claimed
US-6835734-B2 (S)-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol cyclic acetals, useful as intermediates for the preparation of levodropropizine Dompé S.p.A. (IT) 2004-12-28 US disclosed
EP-1307441-B1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY DOMPE SPA (IT) 2004-05-06 EP disclosed
US-20040038989-A1 1,3-dioxolanes with antitussive activity DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-02-26 US disclosed
EP-1307441-A1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY Dompe' S.P.A. (IT) 2003-05-07 EP disclosed
WO-2002010149-A1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY DOMPE' S.P.A. (IT) 2002-02-07 WO 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-20040038989-A1 1,3-dioxolanes with antitussive activity ADRA1D, QDPR, PDE3A MEN1 2068/4885KMT2A 4384/4885DRD2 50/4885

“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.