Mandelic Acid

Mandelic Acid

SCHEMBL4909573

O=C(O)/C=C/C(=O)O.O=C(O)C(O)c1ccccc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Mandelic 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
KMT2A known ✓ Q03164 1/20 0.41
LMNA P02545 3/20 0.78
MAPK1 P28482 1/20 0.78
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HCAR2 Q8TDS4 2/20 0.50
SRC P12931 2/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.47
HDAC3 O15379 1/20 0.45
TNKS O95271 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
Mandelic Acid SCHEMBL5798900 1.00 LMNA (0.78) LMNAMAPK1CES2CES1HCAR2
Mandelic Acid SCHEMBL4909583 1.00 LMNA (0.78) LMNAMAPK1CES2CES1HCAR2
Mandelic Acid SCHEMBL1050 0.89 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL5313046 0.89 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL21647917 0.89 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL255601 0.89 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL29777368 0.89 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL165161 0.89 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL1680817 0.86 LMNA (0.95) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL5000945 0.86 LMNA (0.95) LMNAMAPK1CES2CES1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080124404-A1 Hypolipidemic and/or hypocholesteremic compounds obtainable from the goldenseal plant NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-29 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-20080124404-A1 Hypolipidemic and/or hypocholesteremic compounds obtainable from the goldenseal plant LIPA, HMGCR, LCAT KMT2A 765/4885LMNA 2396/4885MAPK1 3441/4885

“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.