SCHEMBL3355131

SCHEMBL3355131

CCOC(=O)C1CN(C(=O)OC(C)(C)C)c2cc(Cl)c(OCc3ccccc3)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
AKR1B1 P15121 1/20 0.42
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
CYP2C9 P11712 1/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL13308318 0.97 POLB (0.42) POLBAKR1B1KMT2AMEN1ALDH1A1
SCHEMBL3357401 0.90 AKR1B1 (0.44) POLBAKR1B1KMT2AMEN1ALDH1A1
SCHEMBL13308314 0.87 POLB (0.43) POLBAKR1B1KMT2AMEN1ALDH1A1
SCHEMBL13334922 0.86 POLB (0.41) POLBKMT2AMEN1ALDH1A1
SCHEMBL3358747 0.84 POLB (0.47) POLBKMT2AMEN1ALDH1A1SIRT2
SCHEMBL3356299 0.82 POLB (0.40) POLBKMT2AMEN1ALDH1A1SIRT2
SCHEMBL3354383 0.81 POLB (0.44) POLBKMT2AMEN1ALDH1A1SIRT2
SCHEMBL3351602 0.81 POLB (0.44) POLBAKR1B1KMT2AMEN1ALDH1A1
SCHEMBL3355915 0.81 POLB (0.63) POLBKMT2AMEN1ALDH1A1
SCHEMBL3356445 0.81 L3MBTL1 (0.44) POLBKMT2AMEN1ALDH1A1L3MBTL1

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 3 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
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 3780/4885AKR1B1 885/4885KMT2A 3495/4885

“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.