SCHEMBL14733727

SCHEMBL14733727

CC(C)(C)CC(C)(C(=O)Nc1ccccc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.51
PDK2 Q15119 2/20 0.51
PDK3 Q15120 2/20 0.51
PDK4 Q16654 2/20 0.51
MMP8 P22894 1/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL18404024 0.85 EPHX2 (0.50) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL15003212 0.85 POLB (0.50) MAPTRAB9AL3MBTL1MEN1HTT
SCHEMBL12058566 0.83 ALDH1A1 (0.53) MAPTHPGDRAB9AMEN1ALDH1A1
SCHEMBL13719675 0.80 MEN1 (0.55) PDK1PDK2PDK3PDK4MAPT
SCHEMBL23139766 0.79 NLRP3 (0.47) PDK1PDK2PDK3PDK4MAPT
SCHEMBL14540199 0.79 CA1 (0.66) PDK1PDK2PDK3PDK4MEN1
SCHEMBL25776211 0.78 PDK1 (0.50) PDK1PDK2PDK3PDK4MMP8
SCHEMBL12920838 0.77 PTPRC (0.54) MAPTHPGDGAARAB9AL3MBTL1
SCHEMBL14997247 0.75 MAPT (0.46) PDK1PDK2PDK3PDK4MMP8
SCHEMBL14849461 0.75 PDK1 (0.63) PDK1PDK2PDK3PDK4MMP8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1552923-B1 Lithographic printing plate precursor and lithographic printing method using the same FUJIFILM CORP (JP) 2017-11-15 EP disclosed
US-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC 2014-10-02 US disclosed
US-8722310-B2 Lithographic printing plate precursor and method of preparing lithographic printing plate using the same FUJIFILM CORPORATION (JP) 2014-05-13 US disclosed
US-8722310-B2 Lithographic printing plate precursor and method of preparing lithographic printing plate using the same FUJIFILM CORPORATION (JP) 2014-05-13 US disclosed
US-20130052586-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE USING THE SAME FUJIFILM CORPORATION (JP) 2013-02-28 US disclosed
US-20130052586-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE USING THE SAME FUJIFILM CORPORATION (JP) 2013-02-28 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-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES ABCB1, ABCB11, DNPEP PDK1 2307/4885PDK2 3224/4885PDK3 3609/4885

“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.