Malic Acid

Malic Acid

SCHEMBL2964326

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

nearest known ligand 0.54

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 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.45
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
OR51E2 Q9H255 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TET2 Q6N021 6/20 0.34
TET3 O43151 2/20 0.34
TET1 Q8NFU7 1/20 0.34
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
FFAR1 O14842 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32

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
Diethylene Glycol Monoethyl Ether SCHEMBL2953116 0.95 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TSHRMAPK1OR51E2
Diethylene Glycol Monoethyl Ether SCHEMBL9054038 0.95 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TSHRMAPK1OR51E2
Triethylene Glycol SCHEMBL2953118 0.95 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TSHRMAPK1OR51E2
Malic Acid SCHEMBL27714812 0.91 SMN1; SMN2 (0.65) SMN1; SMN2TSHRMAPK1OR51E2MEN1
Malic Acid SCHEMBL2964150 0.89 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1TSHRMAPK1OR51E2
Triethylene Glycol SCHEMBL30580745 0.89 SMN1; SMN2 (0.62) SMN1; SMN2TSHRMAPK1OR51E2MEN1
Triethylene Glycol SCHEMBL28065453 0.89 SMN1; SMN2 (0.62) SMN1; SMN2TSHRMAPK1OR51E2MEN1
Malic Acid SCHEMBL2960357 0.89 SMN1; SMN2 (0.68) SMN1; SMN2OR51E2TET2TET3TET1
Malic Acid SCHEMBL2963355 0.88 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TSHRMAPK1OR51E2
Triethylene Glycol SCHEMBL2953129 0.88 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TSHRMAPK1OR51E2

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 3802/4885ALDH1A1 81/4885TSHR 3886/4885

“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.