Maleic Acid

Maleic Acid

SCHEMBL6045589

CCOC(=O)C1(N(C(=O)CC)c2cccc(F)c2)CCN(Cc2ccccc2)CC1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

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

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1C known ✓ Q13936 1/20 0.47
OPRM1 P35372 12/20 0.56
KCNH2 Q12809 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
OPRD1 P41143 5/20 0.52
OPRK1 P41145 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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 SCHEMBL6045591 1.00 OPRM1 (0.56) OPRM1KCNH2SIGMAR1OPRD1OPRK1
SCHEMBL6045623 0.95 OPRM1 (0.60) OPRM1KCNH2SIGMAR1OPRD1OPRK1
Maleic Acid SCHEMBL6045651 0.91 OPRM1 (0.63) OPRM1OPRD1OPRK1CACNA1CCYP3A4
Fumaric Acid SCHEMBL6045658 0.91 OPRM1 (0.63) OPRM1OPRD1OPRK1CACNA1CCYP3A4
Fumaric Acid SCHEMBL6045669 0.90 OPRM1 (0.54) OPRM1KCNH2SIGMAR1OPRD1OPRK1
Maleic Acid SCHEMBL6045665 0.90 OPRM1 (0.54) OPRM1KCNH2SIGMAR1OPRD1OPRK1
Fumaric Acid SCHEMBL6045422 0.89 L3MBTL1 (0.59) OPRM1OPRD1OPRK1MEN1KMT2A
Maleic Acid SCHEMBL6045420 0.89 L3MBTL1 (0.59) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL593202 0.88 MEN1 (0.55) OPRM1KCNH2SIGMAR1OPRD1OPRK1
SCHEMBL6045500 0.86 OPRM1 (0.69) OPRM1SIGMAR1OPRD1OPRK1CACNA1C

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-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR CACNA1C 648/4885OPRM1 148/4885KCNH2 1132/4885

“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.