Mandelic Acid

Mandelic Acid

SCHEMBL5202810

O=C(O)[C@H](O)c1ccccc1.[Ti]

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.95
MAPK1 P28482 1/20 0.95
CES2 O00748 2/20 0.60
CES1 P23141 2/20 0.60
SRC P12931 2/20 0.56
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN7 P35236 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
ESR2 Q92731 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.44

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 SCHEMBL5202802 1.00 LMNA (0.95) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL21647917 0.97 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL5313046 0.97 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL165161 0.97 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL255601 0.97 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL1050 0.97 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL29777368 0.97 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL1680817 0.95 LMNA (0.95) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL3934174 0.95 LMNA (0.95) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL6439484 0.95 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110746242-A Preparation process of graphene and titanium element synergistic micro-nano biological bacterial fertilizer 福州钧鼎生物科技有限公司 2020-02-04 CN claimed
WO-1996009345-A1 USE OF ZIRCONIUM SALTS TO IMPROVE THE SURFACE SIZING EFFICIENCY IN PAPER MAKING HOPTON TECHNOLOGIES, INC. (US) 1996-03-28 WO claimed
US-5460645-A Blend of hydroxylated polymer, carboxylated polymer, group four compound and water AKZO NOBEL N.V. (NL) 1995-10-24 US claimed
CN-110746242-A Preparation process of graphene and titanium element synergistic micro-nano biological bacterial fertilizer 福州钧鼎生物科技有限公司 2020-02-04 CN disclosed
CN-104034722-B Content of material assay method in a kind of complex silicon carbide 江苏永钢集团有限公司 2016-11-02 CN disclosed
CN-100378093-C Process for the preparation of an optically pure or optically concentrated sulphoxide compound comprising amorphous esomeprazole and its salts REDDY LAB (IN) 2008-04-02 CN disclosed
EP-1515963-B1 A PROCESS FOR PREPARATION OF OPTICALLY PURE OR OPTICALLY ENRICHED SULFOXIDE COMPOUNDS, INCLUDING AMORPHOUS ESOMEPRAZOLE AND SALTS THEREOF REDDYS LAB LTD DR (IN) 2007-02-14 EP disclosed
US-7169793-B2 Process for preparation of optically pure or optically enriched sulfoxide compounds, including amorphous esomeprazole and salts thereof DR. REDDY'S LABORATORIES LIMITED (IN) 2007-01-30 US disclosed
CN-1665805-A Process for the preparation of an optically pure or optically concentrated sulphoxide compound comprising amorphous esomeprazole and its salts REDDY LAB (IN) 2005-09-07 CN disclosed
EP-1515963-A2 A PROCESS FOR PREPARATION OF OPTICALLY PURE OR OPTICALLY ENRICHED SULFOXIDE COMPOUNDS, INCLUDING AMORPHOUS ESOMEPRAZOLE AND SALTS THEREOF Dr. Reddy's Laboratories Ltd. (IN) 2005-03-23 EP disclosed
US-20040077869-A1 Process for preparation of optically pure or optically enriched sulfoxide compounds, including amorphous esomeprazole and salts thereof DR. REDDY'S LABORATORIES LIMITED 2004-04-22 US disclosed
WO-2004002982-A2 A PROCESS FOR PREPARATION OF OPTICALLY PURE OR OPTICALLY ENRICHED SULFOXIDE COMPOUNDS, INCLUDING AMORPHOUS ESOMEPRAZOLE AND SALTS THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2004-01-08 WO 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-20040077869-A1 Process for preparation of optically pure or optically enriched sulfoxide compounds, including amorphous esomeprazole and salts thereof RPS26, RPS6, RPS27 LMNA 4482/4885MAPK1 1365/4885CES2 3407/4885

“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.