SCHEMBL16169727

SCHEMBL16169727

CC(C)(C)OC(=O)NCCCn1cc(-c2ccc3oc4ccc(-c5cnn(CCCNC(=O)OC(C)(C)C)c5)cc4c3c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
GSK3B P49841 2/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A43 Q9HB55 1/20 0.39
CNR2 P34972 2/20 0.39
BCHE P06276 1/20 0.39
RET P07949 1/20 0.38
PAICS P22234 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
SCD O00767 1/20 0.38
DRD2 P14416 2/20 0.38
IRAK1 P51617 1/20 0.38
MIF P14174 1/20 0.38
CCNC P24863 1/20 0.38

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
SCHEMBL31370769 0.82 KCNH2 (0.42) DYRK1AGSK3BACACBACACADRD2
SCHEMBL31047785 0.79 QPCT (0.41) DYRK1AGSK3BACACBACACACNR2
SCHEMBL30271519 0.78 CA1 (0.45) DYRK1AGSK3BSCD
SCHEMBL17998112 0.78 CACNA1G (0.49) DRD2
SCHEMBL17998120 0.78 MAPT (0.46) DRD2CCNCCDK8
SCHEMBL18990999 0.77 DRD2 (0.39) DYRK1AGSK3BACACBACACADRD2
SCHEMBL29357525 0.77 CA12 (0.47) DYRK1AGSK3BCNR2BCHE
SCHEMBL28664300 0.77 CA1 (0.43)
SCHEMBL22012670 0.77 TDP1 (0.47) DRD2MIF
SCHEMBL18012768 0.77 DRD2 (0.43) ACACBACACADRD2IRAK1

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-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same CELLCEUTIX CORPORATION (US) 2014-10-16 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-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same ALG1, CD44, MUC1 DYRK1A 4628/4885GSK3B 2625/4885ACACB 3240/4885

“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.