Maleic Acid

Maleic Acid

SCHEMBL6098415

O=C(O)/C=C\C(=O)O.O=[N+]([O-])c1cccc2c1CCNCC2

nearest known ligand 0.51

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
HTR2C known ✓ P28335 2/20 0.51
HTR2A known ✓ P28223 1/20 0.51
HTR2B known ✓ P41595 1/20 0.51
ADRA2A known ✓ P08913 1/20 0.38
PNMT P11086 2/20 0.50
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
PMP22 Q01453 1/20 0.39
GPR35 Q9HC97 1/20 0.37
CYP3A4 P08684 1/20 0.36

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 SCHEMBL6098422 1.00 HTR2C (0.51) HTR2CHTR2AHTR2BPNMTMAPT
SCHEMBL6097017 0.89 HTR2C (0.62) HTR2CHTR2AHTR2BPNMTMAPT
SCHEMBL3891975 0.78 PNMT (0.71) HTR2CHTR2AHTR2BPNMTALDH1A1
SCHEMBL29507169 0.78 PNMT (0.58) HTR2CHTR2AHTR2BPNMTMAPT
SCHEMBL1010736 0.78 PNMT (0.58) HTR2CHTR2AHTR2BPNMTMAPT
Hydrochloric Acid SCHEMBL30418304 0.77 PNMT (0.57) HTR2CHTR2AHTR2BPNMTMAPT
Fumaric Acid SCHEMBL12504899 0.76 HTR2C (0.64) HTR2CHTR2BPNMTMAPTTSHR
Maleic Acid SCHEMBL29496807 0.76 HTR2C (0.64) HTR2CHTR2BPNMTMAPTTSHR
Fumaric Acid SCHEMBL12504903 0.76 HTR2C (0.64) HTR2CHTR2BPNMTMAPTTSHR
Maleic Acid SCHEMBL10564017 0.74 HTR2A (0.48) HTR2CHTR2AHTR2BPNMTLMNA

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-7022694-B2 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY (US) 2006-04-04 US disclosed
US-20030060458-A1 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY 2003-03-27 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-20030060458-A1 Indoles and indolines having 5-HT activity TPH1, HTR5A, TPH2 HTR2C 8/4885HTR2A 16/4885HTR2B 19/4885

“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.