SCHEMBL21184646

SCHEMBL21184646

CCCOC(=O)CC(N=C=O)C(=O)OCCC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL21184635 0.92 MAPT (0.30) MAPTMAPK1NPSR1L3MBTL1
SCHEMBL2289546 0.87 NAAA (0.50) MAPTMAPK1NPSR1L3MBTL1NAAA
SCHEMBL21175593 0.83
SCHEMBL23553042 0.78 MAPT (0.41) MAPTALDH1A1NAAADGKA
SCHEMBL11230136 0.78
SCHEMBL23130411 0.78 L3MBTL1 (0.39) MAPTL3MBTL1ALDH1A1DGKA
SCHEMBL11443787 0.77 MAPT (0.43) MAPTNAAADGKA
SCHEMBL11240575 0.76 MAPT (0.30) MAPT
SCHEMBL30945834 0.76 MAPK1 (0.32) MAPK1
SCHEMBL21891970 0.74 DGKA (0.42) MAPTMAPK1NPSR1ALDH1A1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
US-20190225739-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-07-25 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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B MAPT 1287/4885MAPK1 2250/4885NPSR1 4801/4885

“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.