SCHEMBL3989423

SCHEMBL3989423

CC(=O)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
BCL9 O00512 1/20 0.58
CTNNB1 P35222 1/20 0.58
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 2/20 0.53
KMT2A Q03164 3/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 3/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
MGLL Q99685 2/20 0.51
MAOB P27338 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL7063519 0.88 GAA (0.65) GAABCL9CTNNB1ALDH1A1MAPK1
SCHEMBL81995 0.86 GAA (0.58) GAABCL9CTNNB1ALDH1A1MAPK1
4-Nitrophenyl Acetate SCHEMBL74985 0.85 GAA (0.66) GAABCL9CTNNB1ALDH1A1MAPK1
SCHEMBL28568321 0.84 GAA (0.57) GAABCL9CTNNB1ALDH1A1MAPK1
SCHEMBL7061678 0.84 GAA (0.60) GAABCL9CTNNB1ALDH1A1MAPK1
4-Nitrophenyl Acetate SCHEMBL11309102 0.83 GAA (0.64) GAABCL9CTNNB1ALDH1A1MAPK1
4-Nitrophenyl Acetate SCHEMBL11309107 0.83 GAA (0.64) GAABCL9CTNNB1ALDH1A1MAPK1
4-Nitrophenyl Acetate SCHEMBL21824458 0.83 GAA (0.64) GAABCL9CTNNB1ALDH1A1MAPK1
4-Nitrophenyl Acetate SCHEMBL3502992 0.83 GAA (0.64) GAABCL9CTNNB1ALDH1A1MAPK1
4-Nitrophenyl Acetate SCHEMBL8769916 0.83 GAA (0.64) GAABCL9CTNNB1ALDH1A1MAPK1

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120005847-A Alpha-hydroxy-beta-keto acid synthase for catalyzing alpha-keto acid coupling reaction 北京大学 2025-05-16 CN claimed
CN-117105863-A Two-photon fluorescent probe for rapidly detecting peroxynitrite through lysosome targeting, and preparation method and application thereof 锦州医科大学 2023-11-24 CN claimed
CN-115851645-A Proteobacterium vulgaris meso-diaminopimelate dehydrogenase mutant and application thereof 江南大学 2023-03-28 CN claimed
US-10655153-B2 Chemoenzymatic synthesis of peptide beta-lactones and beta-hydroxy acids WASHINGTON UNIVERSITY (US) 2020-05-19 US claimed
US-20180265905-A1 CHEMOENZYMATIC SYNTHESIS OF PEPTIDE BETA-LACTONES AND BETA-HYDROXY ACIDS WASHINGTON UNIVERSITY (US) 2018-09-20 US claimed
EP-1291417-B1 NOVEL (R)-2-HYDROXY-3-PHENYLPROPIONATE (D-PHENYLLACTATE) DEHYDROGENASE AND GENE ENCODING THE SAME MEIJI SEIKA KAISHA (JP) 2007-02-21 EP claimed
CN-1254536-C Novel(R)-2-hydroxy-3-phenylpropionate (D-phenyllactate) dehydrogenase and gene encoding the same MEIJI SEIKA KAISHA (JP) 2006-05-03 CN claimed
US-5565328-A COLORIMETRIC ANALYSIS WITH FLUOROMETRIC READER USING SUITABLE FLUOROPHORE DADE INTERNATIONAL INC. (US) 1996-10-15 US claimed
US-20260028653-A1 BIOSYNTHESIS OF PARA-NITRO-L-PHENYLALANINE Nitro Biosciences, Inc. (US) 2026-01-29 US disclosed
CN-120965582-A Fluorescent probe for detecting nitrite and preparation method and application thereof 长沙致科达生物技术有限公司 2025-11-18 CN disclosed
CN-120005847-A Alpha-hydroxy-beta-keto acid synthase for catalyzing alpha-keto acid coupling reaction 北京大学 2025-05-16 CN disclosed
CN-115403506-B Preparation method of indole-2-carboxylic acid derivative 江西亚太科技发展有限公司 2024-02-13 CN disclosed
CN-117105863-A Two-photon fluorescent probe for rapidly detecting peroxynitrite through lysosome targeting, and preparation method and application thereof 锦州医科大学 2023-11-24 CN disclosed
CN-117105863-A Two-photon fluorescent probe for rapidly detecting peroxynitrite through lysosome targeting, and preparation method and application thereof 锦州医科大学 2023-11-24 CN disclosed
EP-0279307-A2 Bifunctional chelating agents ABBOTT LABORATORIES (US) 1988-08-24 EP disclosed
EP-0206460-A2 L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-30 EP disclosed
US-4603108-A Method for identification of bacterial species NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-07-29 US disclosed
EP-0018825-B1 A PROCESS FOR THE IDENTIFICATION OF BACTERIA AND A KIT OF REAGENTS FOR USE IN THIS PROCESS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-02-13 EP disclosed
WO-1980002433-A1 THE IDENTIFICATION OF BACTERIA NAT RES DEV (GB) 1980-11-13 WO disclosed
EP-0018825-A1 A process for the identification of bacteria and a kit of reagents for use in this process NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1980-11-12 EP 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-20260028653-A1 BIOSYNTHESIS OF PARA-NITRO-L-PHENYLALANINE PNPO, PLPBP, PNP GAA 3293/4885BCL9 4839/4885CTNNB1 2237/4885

“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.