SCHEMBL27014757

SCHEMBL27014757

CC(C)(C)OC(=O)C#CCO

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.35
TDP1 Q9NUW8 1/20 0.33
DGAT1 O75907 1/20 0.32
NR1H2 P55055 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
SCHEMBL1088806 0.82 CTSK (0.35) CTSKDGAT1
SCHEMBL3977407 0.80 CTSK (0.34) CTSKDGAT1
SCHEMBL9746433 0.80 CTSK (0.34) CTSKDGAT1
SCHEMBL1414348 0.80 DGAT1 (0.40) CTSKTDP1DGAT1
SCHEMBL1089166 0.78 SPHK1 (0.35) CTSKDGAT1
SCHEMBL15418773 0.78 TDP1 (0.43) CTSKTDP1
SCHEMBL9604817 0.77 CTSK (0.33) CTSK
SCHEMBL27546342 0.77 CTSK (0.33) CTSK
SCHEMBL16885807 0.75 DGAT1 (0.37) CTSKTDP1DGAT1
SCHEMBL1088319 0.75 SPHK1 (0.42) CTSKTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018087-A1 SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS NVISION IMAGING TECHNOLOGIES GMBH (DE) 2024-01-18 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-20240018087-A1 SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS GLS2, HNMT, FH CTSK 4139/4885TDP1 2271/4885DGAT1 3122/4885

“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.