SCHEMBL1274076

SCHEMBL1274076

CCOC(=O)Cc1cccc(-c2cccc(Cl)c2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LDHA P00338 2/20 0.43
LDHB P07195 1/20 0.43
NLRP3 Q96P20 1/20 0.42
CTSA P10619 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
MAOB P27338 1/20 0.40
FFAR1 O14842 2/20 0.40
PPID Q08752 1/20 0.40

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
SCHEMBL2592720 0.79 HTR7 (0.56) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL4556815 0.79 SMN1; SMN2 (0.56) AOC3SMN1; SMN2NPC1PKMNFKB1
SCHEMBL1275937 0.78 HTT (0.44) L3MBTL1MAPTTHRBSHMT1SHMT2
SCHEMBL68412 0.78 L3MBTL1 (0.50) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL406058 0.77 MAOB (0.58) SMN1; SMN2MAOBMAPTALDH1A1LMNA
SCHEMBL26646147 0.77 L3MBTL1 (0.45) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL9289949 0.77 BCL2 (0.42) AOC3CTSADAGLATHRATHRB
SCHEMBL1274044 0.76 CTSA (0.52) CDC7DBF4SMN1; SMN2CTSADAGLA
SCHEMBL31225595 0.76 L3MBTL1 (0.48) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL11850460 0.76 SMN1; SMN2 (0.54) SMN1; SMN2NPC1PKMNFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462124-B9 MESOIONIC PESTICIDES DU PONT (US) 2017-08-23 EP disclosed
US-9596856-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 US disclosed
US-20160066577-A1 MESOIONIC PESTICIDES FMC CORPORATION 2016-03-10 US disclosed
US-9210932-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-12-15 US disclosed
US-20140206536-A1 MESOIONIC PESTICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-24 US disclosed
US-8722690-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 US disclosed
EP-2462124-B1 MESOIONIC PESTICIDES DU PONT (US) 2014-01-08 EP disclosed
US-20120277100-A1 MESOIONIC PESTICIDES FMC CORPORATION 2012-11-01 US disclosed
EP-2462124-A2 MESOIONIC PESTICIDES E. I. du Pont de Nemours and Company (US) 2012-06-13 EP disclosed
WO-2011017342-A2 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 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 (3 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-20140206536-A1 MESOIONIC PESTICIDES CHRM3, CHRM2, CHRM5 AOC3 59/4885CDC7 1736/4885DBF4 2435/4885
US-20160066577-A1 MESOIONIC PESTICIDES CHRM3, CHRM2, CHRM5 AOC3 59/4885CDC7 1736/4885DBF4 2435/4885
US-20120277100-A1 MESOIONIC PESTICIDES CHRM3, CHRM2, CHRM5 AOC3 59/4885CDC7 1664/4885DBF4 2413/4885

“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.