Malic Acid

Malic Acid

SCHEMBL21145140

Nc1ccccc1.O=C(O)CC(O)C(=O)O

nearest known ligand 0.60

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 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CPA1 P15085 2/20 0.44
CPB2 Q96IY4 2/20 0.44
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
TSHR P16473 2/20 0.44
CPN1 P15169 1/20 0.42
KMO O15229 1/20 0.42
PTPRA P18433 1/20 0.41
CYP2C19 P33261 1/20 0.41
GABRR1 P24046 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40

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 SCHEMBL21145138 1.00 SMN1; SMN2 (0.60) SMN1; SMN2POLBTDP1CPA1CPB2
Naphthalene SCHEMBL2936422 0.83 SMN1; SMN2 (0.65) SMN1; SMN2CPA1CPB2GABBR2GABBR1
Malic Acid SCHEMBL27754520 0.83 SMN1; SMN2 (0.54) SMN1; SMN2POLBTDP1GABBR2GABBR1
Malic Acid SCHEMBL27794963 0.82 SMN1; SMN2 (0.88) SMN1; SMN2TDP1KMOGABRR1
Benzamide SCHEMBL27802023 0.81 TSHR (0.59) SMN1; SMN2POLBTDP1CPA1CPB2
Malic Acid SCHEMBL9617183 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CPA1CPB2GABBR2GABBR1
Malic Acid SCHEMBL1458964 0.80 SMN1; SMN2 (0.50) SMN1; SMN2POLBCPA1CPB2GABBR2
Diphenylamine SCHEMBL21145301 0.80 SMN1; SMN2 (0.60) SMN1; SMN2POLBTDP1CPA1CPB2
Diphenylamine SCHEMBL21145303 0.80 SMN1; SMN2 (0.60) SMN1; SMN2POLBTDP1CPA1CPB2
Malic Acid SCHEMBL7300885 0.80 SMN1; SMN2 (0.60) SMN1; SMN2CPA1CPB2CPB1CPA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2020-06-11 US disclosed
US-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-08-08 US disclosed
EP-3518878-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION Henkel AG & Co. KGaA (DE) 2019-08-07 EP disclosed
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 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 (4 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-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, S100A10 SMN1; SMN2 3900/4885POLB 1221/4885TDP1 4247/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK SMN1; SMN2 4150/4885POLB 702/4885TDP1 4807/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA SMN1; SMN2 2681/4885POLB 932/4885TDP1 4571/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 SMN1; SMN2 3725/4885POLB 598/4885TDP1 4417/4885

“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.