Maleic Acid

Maleic Acid

SCHEMBL1320833

Cc1[nH]c2ccc(O)cc2c1CCN.O=C(O)/C=C\C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
HTR1A known ✓ P08908 3/20 0.42
HTR2C known ✓ P28335 3/20 0.42
ADRA2A known ✓ P08913 1/20 0.42
SLC6A2 known ✓ P23975 1/20 0.42
HTR2A known ✓ P28223 2/20 0.42
HTR2B known ✓ P41595 2/20 0.42
DRD1 known ✓ P21728 1/20 0.42
HTR4 known ✓ Q13639 1/20 0.42
NPSR1 Q6W5P4 3/20 1.00
BLM P54132 2/20 1.00
RAD52 P43351 1/20 1.00
HTR6 P50406 4/20 0.80
HTR7 P34969 4/20 0.80
HTR1D P28221 3/20 0.80
TDP1 Q9NUW8 3/20 0.80
CYP1A2 P05177 2/20 0.80
CYP3A4 P08684 2/20 0.80
CYP2D6 P10635 2/20 0.80
CYP2C9 P11712 2/20 0.80
HTR3A P46098 2/20 0.80

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 SCHEMBL1320838 1.00 NPSR1 (1.00) NPSR1BLMRAD52HTR6HTR7
SCHEMBL399028 0.89 HTR6 (1.00) NPSR1BLMRAD52HTR6HTR7
SCHEMBL29361176 0.89 HTR6 (1.00) NPSR1BLMRAD52HTR6HTR7
Hydrochloric Acid SCHEMBL5791576 0.88 HTR6 (0.97) NPSR1BLMRAD52HTR6HTR7
SCHEMBL852745 0.80 HSD17B10 (0.67) NPSR1BLMRAD52HTR6HTR7
SCHEMBL11788979 0.79 HTR7 (0.65) NPSR1BLMRAD52HTR6HTR7
Serotonin SCHEMBL27310578 0.79 HTR1D (0.78) NPSR1BLMRAD52HTR6HTR7
SCHEMBL28100768 0.78 HSD17B10 (0.64) NPSR1BLMRAD52HTR6HTR7
SCHEMBL1320834 0.77 HTR1D (0.67) NPSR1BLMRAD52HTR6HTR7
SCHEMBL2003333 0.76 KDM4E (0.75) NPSR1BLMRAD52HTR6HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040191312-A1 5-HT3 receptor agonists as neuroprotectors AGY THERAPEUTICS, INC. 2004-09-30 US claimed
US-20020173511-A1 Serotonergic compositions and methods for treatment of mild cognitive impairment WURTMAN RICHARD J (US) 2002-11-21 US claimed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO claimed
US-8058243-B2 Method for treating a brain cancer with ifenprodil HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2011-11-15 US disclosed
US-20090076019-A1 METHODS FOR TREATING NEUROLOGICAL DISORDERS OR DAMAGE MOUNT SINAI HOSPITAL (CA) 2009-03-19 US disclosed
US-7013836-B1 Enhancing maturation of oocytes in bivalves BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2006-03-21 US disclosed
US-20040191312-A1 5-HT3 receptor agonists as neuroprotectors AGY THERAPEUTICS, INC. 2004-09-30 US disclosed
US-20030050226-A1 Dopamine analog amide SHASHOUA VICTOR E (US) 2003-03-13 US disclosed
US-20020173511-A1 Serotonergic compositions and methods for treatment of mild cognitive impairment WURTMAN RICHARD J (US) 2002-11-21 US disclosed
US-6407137-B2 A PRODRUG COMPOUND CAPABLE OF FACILITATING THE PASSAGE OF A DRUG ACROSS THE BLOOD BRAIN BARRIER COMPRISING A FATTY ACID COUPLED TO A DRUG TO FORM A PRODRUG PROTARGA, INC. 2002-06-18 US disclosed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO disclosed
US-20010056116-A1 Dopamine analog amide LUITPOLD PHARMACEUTICALS, INC. 2001-12-27 US disclosed
US-6258836-B1 FATTY ACID COUPLED TO ANTIAIDS SUBSTANCE, ANTIBIOTIC, CHOLINERGIC AGONIST AND OTHER USES FOR PASSING THE BLOOD BRAIN BARRIER PROTARGA, INC. 2001-07-10 US disclosed
US-6107499-A FACILITATING THE TRANSPORT OF A NEUROTRANSMITTER ACROSS THE BLOOD BRAIN BARRIER BY ADMINISTERING THE DRUG, A NEUROTRANSMITTER SUCH AS DOPAMINE COVALENTLY COUPLED TO A SINGLE, STRAIGHT-CHAINED FATTY ACID CARRIER MOLECULE NEUROMEDICA, INC. (US) 2000-08-22 US disclosed
US-5994392-A PASSAGE OF DRUG THROUGH BLOOD BRAIN BARRIER NEUROMEDICA, INC. (US) 1999-11-30 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 (3 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-20010056116-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 HTR1A 34/4885HTR2C 90/4885ADRA2A 100/4885
US-20040191312-A1 5-HT3 receptor agonists as neuroprotectors HTR3A, HTR3B, HTR3E HTR1A 6/4885HTR2C 13/4885ADRA2A 102/4885
US-20030050226-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 HTR1A 34/4885HTR2C 90/4885ADRA2A 100/4885

“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.