SCHEMBL435187

SCHEMBL435187

C#CCC(C(C)=O)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL25575102 0.90 GRIK1 (0.42) GRIK1GRIK2
SCHEMBL11257659 0.85 GRIK1 (0.31) GRIK1GRIK2
SCHEMBL8808086 0.82 ACHE (0.34)
SCHEMBL9023602 0.80 ALDH1A1 (0.39)
SCHEMBL3092130 0.77 GRIK1 (0.48) GRIK1GRIK2
SCHEMBL2759245 0.76
SCHEMBL14950815 0.76
SCHEMBL7706660 0.76
SCHEMBL7550733 0.75 GRIK1 (0.39) GRIK1GRIK2
SCHEMBL13864226 0.74

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170259099-A1 SILICON-CONTAINING ORGANIC ACID DERIVATIVES AS ENVIRONMENTALLY FRIENDLY AFFF EXTINGUISHING AGENTS UNIVERSITÄT ZU KÖLN (DE) 2017-09-14 US disclosed
US-9260473-B2 Bivalent multifunctional ligands targeting Aβ oligomers as treatment for Alzheimer's disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-02-16 US disclosed
US-9260473-B2 Bivalent multifunctional ligands targeting Aβ oligomers as treatment for Alzheimer's disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-02-16 US disclosed
US-9260473-B2 Bivalent multifunctional ligands targeting Aβ oligomers as treatment for Alzheimer's disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-02-16 US disclosed
US-20130156705-A1 BIVALENT MULTIFUNCTIONAL LIGANDS TARGETING A[BETA] OLIGOMERS AS TREATMENT FOR ALZHEIMER'S DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2013-06-20 US disclosed
US-20130156705-A1 BIVALENT MULTIFUNCTIONAL LIGANDS TARGETING A[BETA] OLIGOMERS AS TREATMENT FOR ALZHEIMER'S DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2013-06-20 US disclosed
US-20130156705-A1 BIVALENT MULTIFUNCTIONAL LIGANDS TARGETING A[BETA] OLIGOMERS AS TREATMENT FOR ALZHEIMER'S DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2013-06-20 US disclosed
WO-2012076696-A1 NEW METAL CARBONYL COMPLEXES OF CURCUMIN DERIVATIVES, THEIR SYNTHESIS AND THEIR USES IN THERAPEUTIC APPLICATION UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2012-06-14 WO disclosed
WO-2012012257-A2 BIVALENT MULTIFUNCTIONAL LIGANDS TARGETING Aβ OLIGOMERS AS TREATMENT FOR ALZHEIMER'S DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2012-01-26 WO disclosed
WO-2012012257-A2 BIVALENT MULTIFUNCTIONAL LIGANDS TARGETING Aβ OLIGOMERS AS TREATMENT FOR ALZHEIMER'S DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2012-01-26 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 (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-20130156705-A1 BIVALENT MULTIFUNCTIONAL LIGANDS TARGETING A[BETA] OLIGOMERS AS TREATMENT FOR ALZHEIMER'S DISEASE LDLR, NR1H2, MSR1 GRIK1 1089/4885GRIK2 662/4885SLC6A2 2982/4885

“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.