SCHEMBL3355480

SCHEMBL3355480

CCOC(=O)C1(Cc2ccc(F)cc2)CCN(C(=O)C2CN(C(=O)OC(C)(C)C)c3cc(Cl)c(OC)cc3O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
POLB P06746 2/20 0.39
PKM P14618 1/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL13334938 0.92 L3MBTL1 (0.42) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL3359583 0.92 L3MBTL1 (0.45) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL3356445 0.91 L3MBTL1 (0.44) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL3358089 0.90 L3MBTL1 (0.43) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL3356313 0.87 MEN1 (0.36) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL13330723 0.84 PPARG (0.34) ALDH1A1L3MBTL1
SCHEMBL3355392 0.84 MC4R (0.36) ALDH1A1LMNAMAPT
SCHEMBL3358660 0.82 MC4R (0.35) ALDH1A1KMT2AMEN1LMNA
SCHEMBL3358694 0.82 PDE4A (0.35) MAPT
SCHEMBL3356896 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMT2AMEN1POLB

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 ALDH1A1 903/4885L3MBTL1 4318/4885KMT2A 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.