SCHEMBL393440

SCHEMBL393440

N#CC(C(=O)O)=C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.50
XBP1 P17861 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 2/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42

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
SCHEMBL5671121 1.00 ALDH1A1 (0.50) ALDH1A1MAPTLMNAMAPK1XBP1
SCHEMBL9392577 0.85 ALDH1A1 (0.49) ALDH1A1MAPTLMNAMAPK1XBP1
SCHEMBL9392571 0.85 ALDH1A1 (0.49) ALDH1A1MAPTLMNAMAPK1XBP1
SCHEMBL13959952 0.83 ALDH1A1 (0.51) ALDH1A1MAPTLMNAMAPK1XBP1
SCHEMBL269364 0.83 ALDH1A1 (0.50) ALDH1A1MAPTLMNAMAPK1XBP1
Water SCHEMBL11778081 0.83 ALDH1A1 (0.50) ALDH1A1MAPTLMNAMAPK1XBP1
SCHEMBL9392583 0.80 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMAPK1XBP1
SCHEMBL2566020 0.79 ALDH1A1 (0.51) ALDH1A1MAPTLMNAMAPK1XBP1
SCHEMBL15547837 0.79 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMAPK1XBP1
SCHEMBL123931 0.79 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMAPK1XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119246663-A Method for detecting drug-resistant genotyping of pseudomonas aeruginosa 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2025-01-03 CN claimed
US-20130023587-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2013-01-24 US claimed
WO-2011123788-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2011-10-06 WO claimed
JP-2032047-A None JP disclosed
CN-122060644-A Bacillus subtilis, application of bacillus subtilis in fermented soybean meal and preparation method of fermented soybean meal 中粮营养健康研究院有限公司 2026-05-19 CN disclosed
EP-4588091-A1 METHOD AND DEVICE FOR MONITORING AND CONTROLLING THE PERFORMANCE OF AN ION SOURCE Bruker Daltonics GmbH & Co. KG (DE) 2025-07-23 EP disclosed
EP-3359145-B1 RECOMBINANT PROTHROMBIN ANALOGUES AND USES THEREOF CLEVELAND STATE UNIV (US) 2025-06-25 EP disclosed
WO-2025040658-A1 SELECTIVE CYCLIZED PEPTIDE KAPPA-OPIOID RECEPTOR AGONISTS MEDIZINISCHE UNIVERSITÄT WIEN (AT) 2025-02-27 WO disclosed
WO-2025040657-A1 SELECTIVE CYCLIZED PEPTIDE KAPPA-OPIOID RECEPTOR ANTAGONISTS MEDIZINISCHE UNIVERSITÄT WIEN (AT) 2025-02-27 WO disclosed
CN-119246663-A Method for detecting drug-resistant genotyping of pseudomonas aeruginosa 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2025-01-03 CN disclosed
EP-4433095-A1 PEPTIDE CONJUGATES OF PEPTIDIC TUBULIN INHIBITORS AS THERAPEUTICS Cybrexa 4, Inc. (US) 2024-09-25 EP disclosed
WO-2002028890-A1 LABELED PEPTIDES, AND PROCESSES AND INTERMEDIATES USEFUL FOR THEIR PREPARATION THE SCRIPPS RESEARCH INSTITUTE (US) 2002-04-11 WO disclosed
WO-2002008245-A2 LABELED PEPTIDES, PROTEINS AND ANTIBODIES AND PROCESSES AND INTERMEDIATES USEFUL FOR THEIR PREPARATION THE SCRIPPS RESEARCH INSTITUTE (US) 2002-01-31 WO disclosed
WO-2001076618-A1 MECHANICALLY ACTIVATED CHANNEL BLOCKER THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2001-10-18 WO disclosed
US-6294367-B1 NUCLEOTIDE SEQUENCES CODING ENZYMATIC POLYPEPTIDE; FOR USE IN SEQUENCE DETERMINATION OF POLYPEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-09-25 US disclosed
US-6130049-A MEASURING ACTIVITY OF CATALYTIC ANTIBODIES BY CONTACTING PEPTIDE HAVING AT LEAST ONE ARGININE, LYSINE, OR PROLINE WITH TEST AND CONTROL SAMPLES AND PROMOTING CATALYTIC CLEAVAGE OF PEPTIDE; REDUCED ACTIVITY INDICATES DISEASE OR PREDISPOSITION THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2000-10-10 US disclosed
EP-0856065-A4 ASSAY METHODS AND KITS FOR DIAGNOSING AUTOIMMUNE DISEASE UNIV NEBRASKA (US) 2000-05-31 EP disclosed
EP-0856065-A1 ASSAY METHODS AND KITS FOR DIAGNOSING AUTOIMMUNE DISEASE UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 1998-08-05 EP disclosed
WO-1997004125-A1 ASSAY METHODS AND KITS FOR DIAGNOSING AUTOIMMUNE DISEASE UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 1997-02-06 WO disclosed
JP-H0232047-A PREPARATION OF SUBSTITUTED 3-AMINO-2-(BENZOYL)ACRYLATE AND PREPARATION OF INTERMEDIATE FOR ANTIBACTERIAL ACTIVE COMPOUND FROM THIS COMPOUND CHEM LINZ AG 1990-02-01 JP disclosed