Maleic Acid

Maleic Acid

SCHEMBL15913620

CN[C@H]1[C@H](O)CC2C3CCc4cc(O)ccc4C3CC[C@@]21C.O=C(O)/C=C\C(=O)O

nearest known ligand 0.66

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 2/20 0.66
SLC6A3 known ✓ Q01959 2/20 0.66
HTR2B known ✓ P41595 1/20 0.56
CACNA1C known ✓ Q13936 1/20 0.56
ESR1 P03372 6/20 0.66
ESR2 Q92731 5/20 0.66
LMNA P02545 4/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
HIF1A Q16665 2/20 0.66
NR3C1 P04150 2/20 0.66
SHBG P04278 2/20 0.66
PGR P06401 2/20 0.66
SERPINA6 P08185 2/20 0.66
AR P10275 2/20 0.66
SNCA P37840 2/20 0.66
PTGS1 P23219 1/20 0.66
OR51E2 Q9H255 1/20 0.66
UGT1A10 Q9HAW8 1/20 0.66
KDM4E B2RXH2 1/20 0.57

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 SCHEMBL11227348 1.00 ESR1 (0.66) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL11209602 0.92 ESR1 (0.77) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL11207296 0.92 ESR1 (0.77) ESR1ESR2LMNACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11211148 0.91 ESR1 (0.76) ESR1ESR2LMNACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11237062 0.91 ESR1 (0.76) ESR1ESR2LMNACYP2C9CYP2C19
Maleic Acid SCHEMBL11236307 0.90 ESR1 (0.63) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL11212861 0.89 ESR1 (0.70) ESR1ESR2LMNACYP2C9CYP2C19
Maleic Acid SCHEMBL11229073 0.88 ESR1 (0.63) ESR1ESR2LMNACYP2C9CYP2C19
Nitric Acid SCHEMBL11212160 0.88 ESR1 (0.67) ESR1ESR2LMNACYP2C9CYP2C19
Maleic Acid SCHEMBL11242848 0.86 ESR1 (0.52) ESR1ESR2LMNACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221286-A1 SODIUM CHANNEL BLOCKERS REDUCE GLUCAGON SECRETION GILEAD SCIENCES, INC. 2014-08-07 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 (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-20140221286-A1 SODIUM CHANNEL BLOCKERS REDUCE GLUCAGON SECRETION IAPP, SCNN1B, GLP1R SLC6A4 382/4885SLC6A3 388/4885HTR2B 866/4885

“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.