SCHEMBL3535214

SCHEMBL3535214

O=CCC(=O)OC(=O)CC=O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL28075352 0.89 ALDH1A1 (0.42) ALDH1A1
SCHEMBL28077771 0.87 ALDH1A1 (0.40) ALDH1A1
SCHEMBL28113853 0.84 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3535215 0.83
SCHEMBL28657140 0.80
SCHEMBL5693026 0.79 GLO1 (0.31)
SCHEMBL5443235 0.78
SCHEMBL5011756 0.75
SCHEMBL7160851 0.75
SCHEMBL18683149 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478729-B1 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR NUTRASWEET CO (US) 1996-08-21 EP claimed
EP-0478729-A4 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR 1993-06-16 EP claimed
EP-0478729-A1 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR. NUTRASWEET CO (US) 1992-04-08 EP claimed
WO-1991014378-A1 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR THE NUTRASWEET COMPANY (US) 1991-10-03 WO claimed
EP-0083613-B1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LIMITED (GB) 1988-06-01 EP claimed
US-12351570-B2 Disubstituted alkyne derivatives MERCK PATENT GMBH (DE) 2025-07-08 US disclosed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US disclosed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP disclosed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 WO disclosed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 EP disclosed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
US-7807837-B2 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-10-05 US disclosed
US-4283396-A 3-Acetoxymethyl-7-(hydroxyiminoacetamido)-cephalosporanic acid derivatives ROUSSEL UCLAF (FR) 1981-08-11 US disclosed
US-4196205-A ANTIBIOTICS, BACTERICIDES ROUSSEL UCLAF (FR) 1980-04-01 US disclosed
US-4195025-A 9-Amino-dibenzopyrans ELI LILLY AND COMPANY (US) 1980-03-25 US disclosed
EP-0003883-A1 Amino-dibenzopyrans, their preparation, formulations containing them and their use as pharmaceuticals ELI LILLY AND COMPANY (US) 1979-09-05 EP disclosed
EP-0002859-A2 3,4-Methano pyrrolidine derivatives, compositions thereof and use as plant-growth regulating agents SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-07-11 EP disclosed
US-4152450-A 9-Amino-dibenzopyrans ELI LILLY AND COMPANY (US) 1979-05-01 US disclosed
US-4152432-A ANTIBIOTICS ROUSSEL UCLAF (FR) 1979-05-01 US disclosed
US-3937837-A SUBSTITUTED CHROMONE-3-CARBONITRILES, CARBOXAMIDES AND CARBOXYLIC ACIDS USEFUL FOR PREVENTING ASTHMATIC SYMPTOMS WARNER-LAMBERT COMPANY (US) 1976-02-10 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-12351570-B2 Disubstituted alkyne derivatives BRCA1, MYC, PCNA ALDH1A1 414/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA ALDH1A1 414/4885

“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.