SCHEMBL19214532

SCHEMBL19214532

CCC(C)(OC(=O)COC(=O)C(O)(C(F)(F)F)C(F)(F)F)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
GAA P10253 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 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
SCHEMBL19214531 0.99 KMT2A (0.30) PDK1PDK2PDK3PDK4
SCHEMBL19214533 0.90 PDK2 (0.38) PDK1PDK2PDK3PDK4GAA
SCHEMBL19214529 0.88 PDK1 (0.35) PDK1PDK2PDK3PDK4
SCHEMBL19214541 0.86 GAA (0.33) PDK1PDK2PDK3PDK4GAA
SCHEMBL19214522 0.85 PDK1 (0.34) PDK1PDK2PDK3PDK4GAA
SCHEMBL16596719 0.85 CHRM2 (0.33) CHRM2CHRM1CHRM4CHRM3SLC6A3
SCHEMBL19214537 0.84 GAA (0.32) GAA
SCHEMBL19214524 0.84 PDK1 (0.32) PDK1PDK2PDK3PDK4
SCHEMBL106191 0.84 HMGCR (0.36) CHRM2CHRM1CHRM4CHRM3SLC6A3
SCHEMBL19214530 0.84 PDK1 (0.31) PDK1PDK2PDK3PDK4GAA

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 PDK1 3648/4885PDK2 3699/4885PDK3 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.