SCHEMBL13308287

SCHEMBL13308287

CCOC(=O)C1CN(C(=O)OC(C)(C)C)c2cc(Cl)cc(N)c2O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 5/20 0.38
LGMN Q99538 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
F10 P00742 1/20 0.32
TP53 P04637 1/20 0.32
HSD11B1 P28845 1/20 0.32
DPP4 P27487 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CPT1A P50416 1/20 0.32
STS P08842 1/20 0.32

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
SCHEMBL3356484 0.88 POLB (0.44) POLBKMT2AMEN1ALDH1A1TDP1
SCHEMBL13308288 0.86 POLB (0.43) POLBKMT2AMEN1ALDH1A1TDP1
SCHEMBL13308290 0.85 POLB (0.41) POLBKMT2AMEN1ALDH1A1TP53
SCHEMBL3354383 0.82 POLB (0.44) POLBKMT2AMEN1ALDH1A1LGMN
SCHEMBL3355915 0.82 POLB (0.63) POLBKMT2AMEN1ALDH1A1TP53
SCHEMBL3358747 0.81 POLB (0.47) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3354563 0.79 POLB (0.38) POLBKMT2AMEN1ALDH1A1TDP1
SCHEMBL3264386 0.78 POLB (0.39) POLBKMT2AMEN1ALDH1A1TDP1
SCHEMBL3351602 0.76 POLB (0.44) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL3203157 0.76 TDP1 (0.40) POLBKMT2AMEN1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759383-B2 Inhibitors of cholesterol ester transfer protein CONCERT PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 POLB 3780/4885KMT2A 3495/4885MEN1 4595/4885

“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.