SCHEMBL24239478

SCHEMBL24239478

CC(C(=O)OCC(C)(C)COC(=O)C(C)C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
SERPINE1 P05121 1/20 0.35
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL24239454 0.90 HTT (0.36) HTT
SCHEMBL24239441 0.85 HTT (0.34) HTT
SCHEMBL107708 0.84 HTT (0.58) HTT
SCHEMBL765474 0.77 ALDH1A1 (0.42) HTT
SCHEMBL7934757 0.77 ALDH1A1 (0.40) HTTSERPINE1GRIN2DGRIN3BGRIN1
SCHEMBL28575211 0.76 HTT (0.32) HTT
SCHEMBL17734196 0.75 MMP8 (0.37) HTT
SCHEMBL19461045 0.74 HTT (0.56) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6116527 0.74 HCAR2 (0.36) HTT
SCHEMBL28357024 0.74 HTT (0.32) HTT

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-20220033340-A1 METHODS MEXICHEM FLUOR S.A. DE C.V. (MX) 2022-02-03 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-20220033340-A1 METHODS CYP4F3, AOC3, ACOX3 HTT 4524/4885SERPINE1 4865/4885GRIN2D 4254/4885

“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.