SCHEMBL19214541

SCHEMBL19214541

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
KMT2A Q03164 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 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
SCHEMBL19214537 0.99 GAA (0.32) GAAKMT2A
SCHEMBL19214536 0.88 PDK2 (0.38) GAANPC1RAB9ASMN1; SMN2CHRM2
SCHEMBL19214535 0.87 PDK1 (0.35) GAAPDK1PDK2PDK3PDK4
SCHEMBL19214532 0.86 PDK1 (0.32) GAACHRM2CHRM1SLC6A3KCNH2
SCHEMBL19214531 0.84 KMT2A (0.30) KMT2APDK1PDK2PDK3PDK4
SCHEMBL19214522 0.84 PDK1 (0.34) GAANPC1RAB9ASMN1; SMN2CHRM2
SCHEMBL16596832 0.83 CHRM2 (0.33) CHRM2CHRM1SLC6A3KCNH2KMT2A
SCHEMBL106180 0.82 FKBP1A (0.36) CHRM2CHRM1KMT2A
SCHEMBL19214524 0.82 PDK1 (0.32) PDK1PDK2PDK3PDK4
SCHEMBL19214540 0.82 GAA (0.32) GAAKMT2APDK1PDK2PDK3

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 1381/4885NPC1 4675/4885RAB9A 2212/4885

“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.