Malic Acid

Malic Acid

SCHEMBL2962373

CC(C)OC(C)C.O=C(O)CC(O)C(=O)O.OCCOCCO

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F

The experimentally established mechanism targets of Malic 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
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
OR51E2 Q9H255 1/20 0.34
TET2 Q6N021 6/20 0.33
TET3 O43151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TET1 Q8NFU7 1/20 0.33
KDM4A O75164 2/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Malic Acid SCHEMBL27714812 0.89 SMN1; SMN2 (0.65) SMN1; SMN2TSHRMAPK1OR51E2TET2
Triethylene Glycol SCHEMBL28065453 0.87 SMN1; SMN2 (0.62) SMN1; SMN2TSHRMAPK1OR51E2TET2
Triethylene Glycol SCHEMBL30580745 0.87 SMN1; SMN2 (0.62) SMN1; SMN2TSHRMAPK1OR51E2TET2
Triethylene Glycol SCHEMBL2960132 0.87 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMAPK1OR51E2TET2
Malic Acid SCHEMBL2961462 0.87 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMAPK1OR51E2TET2
Malic Acid SCHEMBL2959731 0.85 SMN1; SMN2 (0.50) SMN1; SMN2TSHRMAPK1OR51E2TET2
Malic Acid SCHEMBL2964326 0.84 SMN1; SMN2 (0.54) SMN1; SMN2TSHRMAPK1OR51E2TET2
Malic Acid SCHEMBL2964150 0.84 SMN1; SMN2 (0.54) SMN1; SMN2TSHRMAPK1OR51E2TET2
Triethylene Glycol SCHEMBL2960130 0.83 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMAPK1OR51E2TET2
Malic Acid SCHEMBL2952394 0.83 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMAPK1OR51E2TET2

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-7766978-B2 Acidic hair dyeing method KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2010-08-03 US disclosed
US-20090100609-A1 ACIDIC HAIR DYE COMPOSITION KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2009-04-23 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-20090100609-A1 ACIDIC HAIR DYE COMPOSITION H1-0, MRM1, H1-4 SMN1; SMN2 3802/4885TSHR 3886/4885MAPK1 951/4885

“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.