Mandelic Acid

Mandelic Acid

SCHEMBL7149974

O=C(O)[C@H](O)c1ccccc1.c1ccc(CNC2CCc3ccccc32)cc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
EPHX2 P34913 2/20 0.47
GRIN2B Q13224 2/20 0.46
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
BCHE P06276 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ACHE P22303 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR6 P50406 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 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 SCHEMBL7148240 1.00 KDM4E (0.51) KDM4EALDH1A1EPHX2GRIN2BMAOA
Mandelic Acid SCHEMBL7147248 0.95 KDM4E (0.52) KDM4EALDH1A1EPHX2GRIN2BMAOA
Mandelic Acid SCHEMBL7144638 0.95 KDM4E (0.52) KDM4EALDH1A1EPHX2GRIN2BMAOA
SCHEMBL9058903 0.85 KDM4E (0.51) KDM4EALDH1A1EPHX2GRIN2BMAOA
SCHEMBL7151676 0.85 KDM4E (0.51) KDM4EALDH1A1EPHX2GRIN2BMAOA
SCHEMBL7149968 0.84 GRIN2B (0.62) KDM4EALDH1A1EPHX2GRIN2BMAOA
SCHEMBL7146949 0.84 GRIN2B (0.62) KDM4EALDH1A1EPHX2GRIN2BMAOA
SCHEMBL2160788 0.84 GRIN2B (0.62) KDM4EALDH1A1EPHX2GRIN2BMAOA
SCHEMBL18722296 0.84 GRIN2B (0.62) KDM4EALDH1A1EPHX2GRIN2BMAOA
Rasagiline SCHEMBL2173398 0.83 ACHE (0.70) MAOAMAOBBCHEADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6528685-B2 Such as (R)-N-(2-acetamido)-1-aminoindan for treatment of Parkinson's disease, dementia, epilepsy, convulsions, or seizures TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-03-04 US disclosed
US-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES COHEN SASSON (IL) 2002-06-06 US disclosed
US-6271263-B1 Compositions containing and methods of using 1-aminoindan and derivatives thereof and process for preparing optically active 1-aminoindan derivatives TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2001-08-07 US disclosed
US-5994408-A THERAPY FOR PARKINSON'S DISEASE; ANTICONVULSANT TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-11-30 US disclosed
US-5914349-A ANTICONVULSANTS, EPILEPSY AND COGNITIVE AGENTS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-06-22 US disclosed
US-5880159-A TREATING ACUTE NEUROLOGICAL TRAUMATIC DISORDER OR NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-09 US disclosed
US-5877218-A PARKINSON'S DISEASE; ANTIEPILEPSY AGENTS; ANTICONVULSANTS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US disclosed
US-5877221-A TREATING DEMENTIA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US disclosed
US-5639913-A TREATMENT OF PARKINSON'S DISEASE, DEMENTIA, EPILEPSY TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-06-17 US disclosed
WO-1996021640-A1 OPTICALLY ACTIVE AMINOINDANE DERIVATIVES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-07-18 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-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES PARK7, GAP43, PSEN1 KDM4E 2512/4885ALDH1A1 384/4885EPHX2 1275/4885

“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.