Mandelic Acid

Mandelic Acid

SCHEMBL2760729

N[C@@H]1c2cc([N+](=O)[O-])ccc2C[C@H]1O.O=C(O)C(O)c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR1A P08908 2/20 0.36
GRM8 O00222 2/20 0.35
GRM6 O15303 2/20 0.35
GRM4 Q14833 2/20 0.35
VIPR2 P41587 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC18A3 Q16572 1/20 0.35

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 SCHEMBL2760726 1.00 LMNA (0.40) LMNAMAPK1CHRNB2CHRNB4CHRNA3
SCHEMBL2114569 0.84 CHRNB4 (0.48) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1711411 0.84 CHRNB4 (0.48) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4873027 0.84 CHRNB4 (0.48) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16105229 0.84 CHRNB4 (0.48) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2760561 0.84 CHRNB4 (0.48) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2760982 0.84 CHRNB4 (0.48) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1292916 0.84 CHRNB4 (0.48) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1292952 0.84 CHRNB4 (0.48) LMNACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL1292998 0.83 CHRNB4 (0.47) LMNACHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534667-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2010-12-15 EP disclosed
US-7160922-B2 Hemihydrate of a selective functional M1 muscarine receptor agonist ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-20060122280-A1 Muscarinic agonists ELI LILLY AND COMPANY (US) 2006-06-08 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-20060122280-A1 Muscarinic agonists CHRM3, CHRM4, CHRM5 LMNA 3527/4885MAPK1 3338/4885CHRNB2 20/4885

“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.