SCHEMBL10126332

SCHEMBL10126332

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

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.34
TSHR P16473 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
SCHEMBL28066560 0.78 TSHR (0.39) TSHR
SCHEMBL471726 0.77 PDE4A (0.41)
SCHEMBL817588 0.77 PDE4A (0.41)
SCHEMBL1478552 0.77 PDE4A (0.41)
SCHEMBL29720316 0.77 PDE4A (0.41)
SCHEMBL19912990 0.74 TSHR (0.35) TSHR
SCHEMBL27570058 0.74
SCHEMBL16468880 0.70
SCHEMBL820016 0.70
SCHEMBL822534 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112852890-A Biological synthesis method of polyhydroxy diketone and hydroxy furanone compound 中国科学院天津工业生物技术研究所 2021-05-28 CN claimed
CN-115417755-A Purification and cyclization process of 3, 4-dihydroxy-2, 5-hexanedione 安徽金禾化学材料研究所有限公司 2022-12-02 CN disclosed
CN-112852890-A Biological synthesis method of polyhydroxy diketone and hydroxy furanone compound 中国科学院天津工业生物技术研究所 2021-05-28 CN disclosed
US-20120052028-A1 CINNAMIC ACID ASCORBATES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 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 (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-20120052028-A1 CINNAMIC ACID ASCORBATES PROC, C1S, NISCH GAPDH 1052/4885TSHR 4823/4885

“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.