SCHEMBL12878745

SCHEMBL12878745

Cc1cc(Cl)c2oc(=O)oc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PON1 P27169 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
F12 P00748 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
MCL1 Q07820 1/20 0.32
NOS1 P29475 1/20 0.32
PKM P14618 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL12879216 0.79 KMT2A (0.40) CA1CA9MAPK1KMT2AKDM4E
SCHEMBL12879481 0.72 AHR (0.47) CA1CA9ADORA3CSNK2A2CSNK2B
SCHEMBL727207 0.71 AHR (0.41) GAATTR
SCHEMBL17320633 0.71 GPR35 (0.47) MAPK1KMT2AKDM4ECSNK2A2CSNK2B
SCHEMBL725879 0.69 AHR (0.40) GAATTR
SCHEMBL16477281 0.68 MAPT (0.49) MAPK1KMT2AKDM4ERAB9AADORA3
SCHEMBL16477282 0.67 TTR (0.63) KMT2AKDM4ERAB9AALDH1A1HPGD
SCHEMBL9389992 0.66 NPC1 (0.34) RAB9AMAPT
SCHEMBL9588918 0.66 ALDH1A1 (0.50) CA1CA9KDM4ERAB9AADORA3
SCHEMBL9206553 0.65 ALDH1A1 (0.50) CA1CA9MAPK1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
WO-2012146125-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2012-11-01 WO disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 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 (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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO CA1 4117/4885CA9 2701/4885MAPK1 2445/4885
US-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT CA1 1707/4885CA9 666/4885MAPK1 4018/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT CA1 1707/4885CA9 666/4885MAPK1 4018/4885

“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.