SCHEMBL13995142

SCHEMBL13995142

Cc1ccc([C@H](O)[C@@H](N)C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
ALOX5 P09917 1/20 0.38
CYP2A6 P11509 1/20 0.37
LMNA P02545 4/20 0.36
HIF1A Q16665 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
ALDH1A1 P00352 4/20 0.35
STAT3 P40763 1/20 0.35
ACHE P22303 1/20 0.34
PKM P14618 2/20 0.33
HTT P42858 2/20 0.33
ATM Q13315 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
NLRP1 Q9C000 1/20 0.33
MEN1 O00255 1/20 0.33
NTSR1 P30989 1/20 0.33

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
SCHEMBL13207809 1.00 CHRNA7 (0.39) CHRNA7ALOX5CYP2A6LMNAHIF1A
SCHEMBL4143616 0.79 ADRA2A (0.54) LMNAHIF1AKDM4EADRA2AADRA2C
SCHEMBL12598166 0.79 ADRA2A (0.54) LMNAHIF1AKDM4EADRA2AADRA2C
SCHEMBL13995149 0.79 CHRNA7 (0.41) CHRNA7ALOX5CYP2A6LMNAALDH1A1
SCHEMBL18211567 0.78 LMNA (0.44) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL18973797 0.77 ACP3 (0.43) LMNAHIF1AKDM4EADRA2AADRA2C
SCHEMBL11938485 0.75 CHRNA7 (0.55) CHRNA7ALOX5LMNAHIF1AKDM4E
SCHEMBL3693273 0.75 CHRNA7 (0.55) CHRNA7ALOX5LMNAHIF1AKDM4E
SCHEMBL11938483 0.75 CHRNA7 (0.55) CHRNA7ALOX5LMNAHIF1AKDM4E
SCHEMBL18660867 0.74 KDM4E (0.64) CHRNA7ALOX5LMNAHIF1AKDM4E

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-20080319200-A1 PROCESS FOR PREPARING OXAZOLINE-PROTECTED AMINODIOL COMPOUNDS USEFUL AS INTERMEDIATES TO FLORFENICOL SCHERING-PLOUGH ANIMAL HEALTH CORP. 2008-12-25 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-20080319200-A1 PROCESS FOR PREPARING OXAZOLINE-PROTECTED AMINODIOL COMPOUNDS USEFUL AS INTERMEDIATES TO FLORFENICOL PFAS, DHFR, DDC CHRNA7 2773/4885ALOX5 882/4885CYP2A6 258/4885

“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.