SCHEMBL1013024

SCHEMBL1013024

O=C(Cl)c1ccc(OCC2CC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.52
PDE4B Q07343 6/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
ABCB11 O95342 1/20 0.46
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
ACACB O00763 1/20 0.45
SCN9A Q15858 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
HPGD P15428 4/20 0.43
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42

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
SCHEMBL1015121 0.88 KMO (0.58) KMOPDE4BPDE4APDE4CPDE4D
SCHEMBL4286296 0.88 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL1391337 0.84 KMO (0.49) KMOPDE4BPDE4APDE4CPDE4D
SCHEMBL15968595 0.84 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL663986 0.82 MAP4K4 (0.54) KMOPARP15PARP10PARP2HPGD
SCHEMBL1030016 0.82 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL3170758 0.82 KMO (0.50) KMOPDE4BPDE4APDE4CPDE4D
SCHEMBL1013056 0.81 XDH (0.53) PARP15PARP10PARP2HPGD
SCHEMBL12881162 0.81 PARP15 (0.42) KMOPDE4BPDE4APDE4CPDE4D
SCHEMBL2090182 0.81 KMO (0.46) KMOPDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 KMO 1640/4885PDE4B 266/4885PDE4A 372/4885

“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.