SCHEMBL25820348

SCHEMBL25820348

CC(C)C(=O)N1CCCc2ccc(C(C)C)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.47
XIAP P98170 1/20 0.46
BIRC2 Q13490 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
NOTUM Q6P988 1/20 0.43
BRD4 O60885 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
GRM7 Q14831 1/20 0.41

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
SCHEMBL25820345 0.91 XIAP (0.54) PDK1PDK2PDK3PDK4HTT
SCHEMBL17368396 0.89 PDK1 (0.62) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL25786385 0.87 NOTUM (0.59) PDK1PDK2PDK3PDK4LMNA
SCHEMBL26763831 0.84 MEN1 (0.54) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL26763823 0.83 MAPT (0.45) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL10238670 0.82 PDK1 (0.47) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL16775741 0.80 PDK1 (0.46) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL17368393 0.79 CYP11B1 (0.56) PDK1PDK2PDK3PDK4LMNA
SCHEMBL12308329 0.79 NOTUM (0.69) KMT2AMEN1NPSR1HTTLMNA
SCHEMBL22104698 0.79 BRD4 (0.61) PDK1PDK2PDK3PDK4XIAP

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA PDK1 79/4885PDK2 375/4885PDK3 204/4885

“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.