SCHEMBL19214550

SCHEMBL19214550

CC(C)(OC(=O)C(C)(O)C(F)(F)F)C(=O)OC(C)(C)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.43
PDK1 Q15118 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19214547 0.98 PDK2 (0.41) PDK2PDK1PDK3PDK4
SCHEMBL19214551 0.88 PDK1 (0.36) PDK2PDK1PDK3PDK4NPC1
SCHEMBL19214548 0.86 PDK1 (0.34) PDK2PDK1PDK3PDK4
SCHEMBL19214549 0.80 PDK1 (0.33) PDK2PDK1PDK3PDK4
SCHEMBL20962043 0.79 PDK1 (0.36) PDK2PDK1PDK3PDK4NPC1
SCHEMBL19214546 0.78 PDK1 (0.31) PDK2PDK1PDK3PDK4
SCHEMBL19214526 0.78 PDK2 (0.40) PDK2PDK1PDK3PDK4NPC1
SCHEMBL22372756 0.78 PDK1 (0.35) PDK2PDK1PDK3PDK4
SCHEMBL19214543 0.77 PDK1 (0.39) PDK2PDK1PDK3PDK4
SCHEMBL19214523 0.77 PDK2 (0.38) PDK2PDK1PDK3PDK4

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-20170226252-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-10 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-20170226252-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS PARG, SMARCA1, SMARCA2 PDK2 3699/4885PDK1 3648/4885PDK3 4262/4885

“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.