SCHEMBL243722

SCHEMBL243722

O=C(O)C=C(O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.70
CA2 P00918 3/20 0.67
CA12 O43570 2/20 0.67
CA1 P00915 2/20 0.67
CA9 Q16790 2/20 0.67
CYP3A4 P08684 3/20 0.55
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
CES1 P23141 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CES2 O00748 2/20 0.50
TSHR P16473 2/20 0.50
DAO P14920 1/20 0.50

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
SCHEMBL2593117 1.00 NFE2L2 (0.70) NFE2L2CA2CA12CA1CA9
SCHEMBL3829338 1.00 NFE2L2 (0.70) NFE2L2CA2CA12CA1CA9
SCHEMBL9781094 0.84 NFE2L2 (0.70) NFE2L2CA2CA12CA1CA9
SCHEMBL3244802 0.82 NFE2L2 (1.00) NFE2L2CA2CA12CA1CA9
SCHEMBL6426228 0.82 NFE2L2 (1.00) NFE2L2CA2CA12CA1CA9
SCHEMBL464633 0.82 NFE2L2 (1.00) NFE2L2CA2CA12CA1CA9
SCHEMBL7598129 0.80 CA2 (0.54) NFE2L2CA2CA12CA1CA9
SCHEMBL14462260 0.80 NFE2L2 (0.64) NFE2L2CA2CA12CA1CA9
SCHEMBL668443 0.80 NFE2L2 (0.64) NFE2L2CA2CA12CA1CA9
SCHEMBL11498687 0.80 NFE2L2 (0.64) NFE2L2CA2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115407010-B Method for identifying active ingredients in edible betel nuts by using wide-range targeted metabonomics technology 中国检验检疫科学研究院 2024-01-23 CN claimed
CN-115407010-A Method for identifying active ingredients in edible areca nuts by utilizing extensive targeted metabonomics technology 中国检验检疫科学研究院 2022-11-29 CN claimed
JP-3246251-A None JP disclosed
US-20240032544-A1 IDENTIFICATION OF AGRICULTURALLY BENEFICIAL MICROBIAL COMPOSITIONS AND USES THEREOF BIOCONSORTIA, INC. 2024-02-01 US disclosed
CN-115407010-B Method for identifying active ingredients in edible betel nuts by using wide-range targeted metabonomics technology 中国检验检疫科学研究院 2024-01-23 CN disclosed
US-11723985-B2 Protein delivery to membranes CYTOSEEK LIMITED (GB) 2023-08-15 US disclosed
EP-4203689-A2 IDENTIFICATION OF AGRICULTURALLY BENEFICIAL MICROBIAL COMPOSITIONS AND USES THEREOF BioConsortia, Inc. (US) 2023-07-05 EP disclosed
WO-2023081775-A1 COMBINATION INHIBITORS FOR TREATING FIBROSIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2023-05-11 WO disclosed
CN-115407010-A Method for identifying active ingredients in edible areca nuts by utilizing extensive targeted metabonomics technology 中国检验检疫科学研究院 2022-11-29 CN disclosed
WO-2022047396-A2 IDENTIFICATION OF AGRICULTURALLY BENEFICIAL MICROBIAL COMPOSITIONS AND USES THEREOF BIOCONSORTIA, INC. (US) 2022-03-03 WO disclosed
US-20210060174-A1 PROTEIN DELIVERY TO MEMBRANES CYTOSEEK LIMITED (GB) 2021-03-04 US disclosed
US-20030092629-A1 Inhibitors of memapsin 2 and use thereof OKLAHOMA MEDICAL RESEARCH FOUNDATION 2003-05-15 US disclosed
EP-1114143-A4 STREPTOCOCCAL C BETA PROTEIN COMPOSITIONS NORTH AMERICAN VACCINE INC (CA) 2003-05-07 EP disclosed
US-6326163-B1 MONITORING GENE EXPRESSION IN MUTANT AND WILDTYPE SAMPLE; OBTAIN SAMPLE, CONCENTRATE PREFERENTIAL PROTEIN, DETERMINE WEIGHT OF PROTEIN, EVALUATE GENE EXPRESSION PHARIS BIOTEC GMBH (DE) 2001-12-04 US disclosed
EP-1114143-A1 STREPTOCOCCAL C BETA PROTEIN COMPOSITIONS NORTH AMERICAN VACCINE, INC. (CA) 2001-07-11 EP disclosed
US-6140639-A System and method for on-line coupling of liquid capillary separations with matrix-assisted laser desorption/ionization mass spectrometry VANDERBILT UNIVERSITY (US) 2000-10-31 US disclosed
WO-2000015760-A1 STREPTOCOCCAL C BETA PROTEIN COMPOSITIONS NORTH AMERICAN VACCINE, INC. (US) 2000-03-23 WO disclosed
EP-0496793-A1 ENHANCED CHEMILUMINESCENT ASSAY. BRITISH TECH GROUP (GB) 1992-08-05 EP disclosed
JP-H03246251-A ARYLIDENE GLYCOLATOPLATINUM COMPLEX COMPOUND SAGAMI CHEM RES CENTER 1991-11-01 JP disclosed
WO-1991005872-A1 ENHANCED CHEMILUMINESCENT ASSAY BRITISH TECHNOLOGY GROUP LTD (GB) 1991-05-02 WO 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 (3 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-20030092629-A1 Inhibitors of memapsin 2 and use thereof MMEL1, MME, METAP2 NFE2L2 4111/4885CA2 641/4885CA12 406/4885
US-11723985-B2 Protein delivery to membranes PCTP, SCAMP3, SCAMP2 NFE2L2 4788/4885CA2 2225/4885CA12 1514/4885
US-20210060174-A1 PROTEIN DELIVERY TO MEMBRANES SCAMP3, SCAMP2, PCTP NFE2L2 4791/4885CA2 1993/4885CA12 1493/4885

“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.