SCHEMBL19106914

SCHEMBL19106914

CP(=O)(OCCF)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
HSPB1 P04792 1/20 0.41
KCNH2 Q12809 2/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL19097634 0.89 CA1 (0.46) CA1CA2BCHEACHECES2
SCHEMBL15086926 0.87 CA1 (0.61) CA1CA2BCHEACHECES2
SCHEMBL19118022 0.84 ALDH1A1 (0.57) CA1CA2BCHEACHECES2
SCHEMBL2596732 0.83 CA1 (0.74) CA1CA2BCHEACHECES2
SCHEMBL6388669 0.82 CES2 (0.69) CA1CA2BCHEACHECES2
SCHEMBL1363813 0.82 CA1 (0.67) CA1CA2BCHEACHECES2
SCHEMBL16317650 0.81 CA1 (0.51) CA1CA2BCHEACHECES2
SCHEMBL19097630 0.79 ALDH1A1 (0.48) CA1CA2BCHEACHECES2
SCHEMBL25931268 0.78 ALDH1A1 (0.65) CA1CA2BCHEACHECES2
SCHEMBL18214656 0.77 CA1 (0.54) CA1CA2BCHEACHECES2

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
US-20130343994-A1 Cholinesterase Inhibitors THE UNIVERSITY OF MONTANA (US) 2013-12-26 US claimed
US-20170197996-A1 Cholinesterase Inhibitors THE UNIVERSITY OF MONTANA (US) 2017-07-13 US disclosed
US-20170197996-A1 Cholinesterase Inhibitors THE UNIVERSITY OF MONTANA (US) 2017-07-13 US disclosed
US-20170197996-A1 Cholinesterase Inhibitors THE UNIVERSITY OF MONTANA (US) 2017-07-13 US disclosed
US-20130343994-A1 Cholinesterase Inhibitors THE UNIVERSITY OF MONTANA (US) 2013-12-26 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 (2 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-20170197996-A1 Cholinesterase Inhibitors BCHE, ACHE, BACE1 CA1 418/4885CA2 2259/4885BCHE 1/4885
US-20130343994-A1 Cholinesterase Inhibitors BCHE, ACHE, BACE1 CA1 418/4885CA2 2259/4885BCHE 1/4885

“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.