Mandelic Acid

Mandelic Acid

SCHEMBL14166146

NC(c1ccccc1)c1cccc(O)c1.O=C(O)C(O)c1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
MAPK1 P28482 1/20 0.58
KYNU Q16719 1/20 0.55
HIF1A Q16665 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ADRB1 P08588 2/20 0.47
ADRA1A P35348 2/20 0.47
MIF P14174 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2B P41595 1/20 0.47
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GRIA2 P42262 1/20 0.40
KIF11 P52732 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SCD O00767 1/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL15768316 0.86 ADRB1 (0.55) LMNAKYNUHIF1AKDM4EADRB1
SCHEMBL14166013 0.86 ADRB1 (0.55) LMNAKYNUHIF1AKDM4EADRB1
Hydrochloric Acid SCHEMBL14166027 0.84 ADRB1 (0.53) LMNAKYNUHIF1AKDM4EADRB1
SCHEMBL1840382 0.84 LMNA (0.61) LMNAMAPK1KYNUHIF1AKDM4E
SCHEMBL6402095 0.84 LMNA (0.61) LMNAMAPK1KYNUHIF1AKDM4E
Hydrochloric Acid SCHEMBL15768368 0.84 ADRB1 (0.53) LMNAKYNUHIF1AKDM4EADRB1
SCHEMBL2453388 0.84 LMNA (0.61) LMNAMAPK1KYNUHIF1AKDM4E
SCHEMBL29690043 0.84 LMNA (0.61) LMNAMAPK1KYNUHIF1AKDM4E
Mandelic Acid SCHEMBL28078527 0.80 LMNA (0.82) LMNAMAPK1KYNUHIF1AKDM4E
Mandelic Acid SCHEMBL8715339 0.77 LMNA (0.82) LMNAMAPK1HIF1ACES2CES1

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
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 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-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B LMNA 2613/4885MAPK1 1504/4885KYNU 1466/4885

“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.