SCHEMBL32690686

SCHEMBL32690686

CCOC(=O)COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
CASP3 P42574 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
PKM P14618 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
TNF P01375 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL32690852 1.00 HTT (0.50) HTTCASP3CASP7CASP9ALDH1A1
SCHEMBL18084993 0.90 HTT (0.50) HTTCASP3ALDH1A1POLBPKM
SCHEMBL29546147 0.87 HTT (0.56) HTTCASP3POLBPKMMEN1
SCHEMBL8125388 0.87 HTT (0.56) HTTCASP3POLBPKMMEN1
SCHEMBL18554121 0.85 TNF (0.50) HTTCASP3ALDH1A1POLBPKM
SCHEMBL2610746 0.83 POLB (0.54) HTTCASP3ALDH1A1POLBPKM
SCHEMBL375897 0.83 PKM (0.59) HTTCASP3ALDH1A1POLBPKM
SCHEMBL31549975 0.83 PKM (0.59) HTTCASP3ALDH1A1POLBPKM
SCHEMBL7006941 0.82 HTT (0.54) HTTCASP3POLBPKMMEN1
SCHEMBL32690661 0.82 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ANPC1CYP3A4

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-20260085046-A1 Dual Function Compounds For NADPH Oxidase Inhibition And Histone Deacetylase Inhibition TAIWANJ PHARMACEUTICALS CO LTD (TW) 2026-03-26 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 (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-20260085046-A1 Dual Function Compounds For NADPH Oxidase Inhibition And Histone Deacetylase Inhibition NOX1, NOX4, CYBB HTT 4517/4885CASP3 1289/4885CASP7 1286/4885

“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.