SCHEMBL13995149

SCHEMBL13995149

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
CYP2A6 P11509 1/20 0.39
STAT3 P40763 1/20 0.37
ACHE P22303 3/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 2/20 0.35
HTT P42858 2/20 0.35
ATM Q13315 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
NLRP1 Q9C000 1/20 0.35
NTSR1 P30989 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL13995142 0.79 CHRNA7 (0.39) CHRNA7CYP2A6STAT3ACHEALOX5
SCHEMBL13207809 0.79 CHRNA7 (0.39) CHRNA7CYP2A6STAT3ACHEALOX5
SCHEMBL11938483 0.78 CHRNA7 (0.55) CHRNA7ACHEALOX5ALDH1A1LMNA
SCHEMBL11938485 0.78 CHRNA7 (0.55) CHRNA7ACHEALOX5ALDH1A1LMNA
SCHEMBL3693273 0.78 CHRNA7 (0.55) CHRNA7ACHEALOX5ALDH1A1LMNA
SCHEMBL2356074 0.77 CYP2A6 (0.42) CHRNA7CYP2A6STAT3ACHEALOX5
SCHEMBL12413909 0.75 STAT3 (0.36) CHRNA7CYP2A6STAT3ACHEALOX5
SCHEMBL28181394 0.74 CYP2A6 (0.39) CHRNA7CYP2A6STAT3ACHEALOX5
SCHEMBL15602735 0.72 CYP2A6 (0.46) CHRNA7CYP2A6STAT3ACHEALOX5
SCHEMBL548390 0.72 CYP2A6 (0.46) CHRNA7CYP2A6STAT3ACHEALOX5

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 2773/4885CYP2A6 258/4885STAT3 4710/4885

“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.