SCHEMBL1052671

SCHEMBL1052671

COc1ccc(CO)cc1OCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.48
PDE4A P27815 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
GPR119 Q8TDV5 5/20 0.48
STS P08842 1/20 0.47
SLC2A1 P11166 1/20 0.47
CHEK2 O96017 1/20 0.45
TGFBR1 P36897 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
CSF1R P07333 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
SCHEMBL1052689 0.88 GPR119 (0.51) PDE4BPDE4APDE4CPDE4DGPR119
SCHEMBL31160618 0.85 GPR119 (0.50) GPR119KDM4EPKMCSF1R
SCHEMBL791854 0.84 KDM4E (0.55) PDE4BPDE4APDE4CPDE4DGPR119
SCHEMBL1056543 0.84 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DGPR119
SCHEMBL19610219 0.84 GPR119 (0.45) GPR119SLC2A1KDM4EPKMCSF1R
SCHEMBL1055480 0.84 GPR119 (0.51) PDE4BPDE4APDE4CPDE4DGPR119
SCHEMBL25577365 0.84 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DGPR119
SCHEMBL21644472 0.82 ALDH1A1 (0.50) PDE4BPDE4APDE4CPDE4DGPR119
SCHEMBL17078731 0.82 GPR119 (0.56) GPR119SLC2A1CHEK2KDM4EPKM
SCHEMBL19610328 0.81 GPR119 (0.45) GPR119SLC2A1KDM4EPKMCSF1R

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-7872014-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-01-18 US disclosed
EP-1648455-A4 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-03-04 EP disclosed
US-20070032515-A1 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2007-02-08 US disclosed
EP-1648455-A2 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-04-26 EP disclosed
WO-2005009389-A2 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-02-03 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-20070032515-A1 Anaplastic lymphoma kinase modulators and methods of use ALK, MALT1, BCL6 PDE4B 2261/4885PDE4A 2179/4885PDE4C 2135/4885

“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.