SCHEMBL3359121

SCHEMBL3359121

CCOC(=O)C1CN(Cc2ccccc2)c2cc(Cl)ccc2O1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.66
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 4/20 0.56
SIRT1 Q96EB6 6/20 0.53
SIRT2 Q8IXJ6 4/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL22777704 0.89 POLB (0.71) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL11567520 0.88 SIRT1 (0.69) POLBSIRT1SIRT2
SCHEMBL3353292 0.85 POLB (0.62) POLBKMT2AMEN1SIRT1SIRT2
SCHEMBL7818287 0.84 POLB (0.73) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL23421395 0.82 SIRT1 (0.46) POLBKMT2AMEN1ALDH1A1SIRT1
SCHEMBL22397084 0.82 POLB (0.71) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL12610719 0.79 SIRT1 (0.58) POLBKMT2ASIRT1SIRT2
SCHEMBL3355915 0.77 POLB (0.63) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL22777623 0.77 POLB (0.60) POLBKMT2AMEN1ALDH1A1SIRT1
SCHEMBL7824177 0.76 ALDH1A1 (0.47) POLBKMT2AMEN1ALDH1A1SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 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
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO 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.