SCHEMBL1672509

SCHEMBL1672509

Nc1ccc(OC2CCOC2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.46
PDE4A P27815 9/20 0.46
PDE4B Q07343 9/20 0.46
PDE4C Q08493 9/20 0.46
SYK P43405 1/20 0.44
KAT2B Q92831 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
MEN1 O00255 2/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL30507985 0.92 KAT2B (0.50) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL25314851 0.92 KAT2B (0.50) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL1671342 0.83 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CKAT2B
SCHEMBL1815276 0.80 KAT2B (0.59) PDE4DPDE4APDE4BPDE4CKAT2B
SCHEMBL1815278 0.80 KAT2B (0.59) PDE4DPDE4APDE4BPDE4CKAT2B
SCHEMBL19766689 0.80 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL15144072 0.80 BRD4 (0.49) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL28779932 0.79 MAPK8 (0.40) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL28779927 0.79 MAPK8 (0.40) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL6990530 0.77 MAPK8 (0.41) PDE4DPDE4APDE4BPDE4CSYK

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-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 PDE4D 865/4885PDE4A 452/4885PDE4B 749/4885

“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.