SCHEMBL19214540

SCHEMBL19214540

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
FKBP1A P62942 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL19214534 0.99 FKBP1A (0.31) GAAFKBP1A
SCHEMBL19214530 0.88 PDK1 (0.31) GAAPDK1PDK2PDK3PDK4
SCHEMBL19214528 0.86
SCHEMBL19214527 0.86 PDK1 (0.33) PDK1PDK2PDK3PDK4MEN1
SCHEMBL19214525 0.84 PDK1 (0.31) PDK1PDK2PDK3PDK4MEN1
SCHEMBL19214536 0.84 PDK2 (0.38) GAAPDK1PDK2PDK3PDK4
SCHEMBL19214535 0.82 PDK1 (0.35) GAAPDK1PDK2PDK3PDK4
SCHEMBL19214541 0.82 GAA (0.33) GAAPDK1PDK2PDK3PDK4
SCHEMBL19214537 0.81 GAA (0.32) GAAKMT2A
SCHEMBL16596832 0.79 CHRM2 (0.33) FKBP1AMEN1MAPTKMT2AATM

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 GAA 1381/4885PDK1 3648/4885PDK2 3699/4885

“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.