SCHEMBL363656

SCHEMBL363656

COC(=O)c1coc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
KDM4E B2RXH2 4/20 0.44
XDH P47989 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 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
SCHEMBL8627462 0.79 CA12 (0.50) CA1CA2CA12CA7CA9
SCHEMBL110811 0.78 NPC1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL69256 0.78 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL363238 0.76 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL16289864 0.76 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL9052946 0.76 KDM4E (0.46) CA1CA2CA12CA7CA9
SCHEMBL19434516 0.76 CHRM2 (0.41) CA1CA2CA12CA7CA9
SCHEMBL4463908 0.74 CHRM2 (0.47) CA1CA2CA12CA7CA9
SCHEMBL22265731 0.74 CA2 (0.42) CA1CA2CA12CA7CA9
SCHEMBL22282362 0.73 CA1 (0.42) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593447-B1 3-PYRIDYL-HETEROARYLCARBOXAMIDE COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2016-08-17 EP disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
EP-2593447-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 WO disclosed
US-6392047-B1 COUPLING OF THE CORRESPONDING AROMATIC COMPOUND WITH AN AROMATIC BORON COMPOUND CLARIANT GMBH (DE) 2002-05-21 US disclosed
EP-1155020-A2 FURO[3,2-B]PYRIDINES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2001-11-21 EP disclosed
WO-2000050426-A2 FURO[3, 2-B]PYRIDINES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-08-31 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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE CA1 2856/4885CA2 2993/4885CA12 4414/4885

“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.