SCHEMBL19829294

SCHEMBL19829294

CC(C1CCCCC1)C(C)(O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SHBG P04278 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 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
SCHEMBL13159748 0.85 PDK1 (0.43) PDK1PDK2PDK3PDK4TP53
SCHEMBL14230447 0.85 PDK1 (0.43) PDK1PDK2PDK3PDK4TP53
SCHEMBL14230446 0.83 PDK1 (0.40) PDK1PDK2PDK3PDK4SHBG
SCHEMBL14204533 0.83 PDK1 (0.40) PDK1PDK2PDK3PDK4SHBG
SCHEMBL13855992 0.78 PDK1 (0.36) PDK1PDK2PDK3PDK4SHBG
SCHEMBL11101108 0.78 SHBG (0.37) PDK1PDK2PDK3PDK4TP53
SCHEMBL13855996 0.76 PDK1 (0.33) PDK1PDK2PDK3PDK4SHBG
SCHEMBL16864640 0.75 SHBG (0.39) PDK1PDK2PDK3PDK4TP53
SCHEMBL17835211 0.75 SHBG (0.39) PDK1PDK2PDK3PDK4TP53
SCHEMBL28674314 0.75 SHBG (0.39) PDK1PDK2PDK3PDK4TP53

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-20180031967-A1 PHOTOACID GENERATOR AND PHOTORESIST COMPOSITION INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-02-01 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-20180031967-A1 PHOTOACID GENERATOR AND PHOTORESIST COMPOSITION INCLUDING THE SAME PAG1, CCNT1, NAT1 PDK1 2085/4885PDK2 1196/4885PDK3 1355/4885

“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.