SCHEMBL14645459

SCHEMBL14645459

O=C(CBr)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
GSK3B P49841 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
TLR8 Q9NR97 1/20 0.39
CYP3A4 P08684 1/20 0.39
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MMP1 P03956 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
MAPK10 P53779 1/20 0.37
SCN8A Q9UQD0 1/20 0.36

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
SCHEMBL29879873 1.00 AR (0.50) ARGSK3BTHRATHRBTLR8
SCHEMBL28953130 0.86 NR1H4 (0.44) ARGSK3BCYP3A4PPARGPPARA
SCHEMBL28039336 0.86 AR (0.50) ARTHRATHRBTLR8CYP3A4
SCHEMBL29093106 0.84 AR (0.56) ARTLR8FLT1FLT4KDR
SCHEMBL1350488 0.84 GSK3B (0.46) GSK3BFLT1FLT4KDRMAPT
SCHEMBL28661823 0.83 AR (0.55) ARTLR8CYP3A4FLT1FLT4
SCHEMBL29741809 0.82 AR (0.54) ARTLR8FLT1FLT4KDR
SCHEMBL14645660 0.82 AR (0.54) ARTLR8FLT1FLT4KDR
SCHEMBL29880235 0.81 ALDH1A1 (0.47) GSK3BFLT1FLT4KDRPPARG
SCHEMBL2774480 0.81 ALDH1A1 (0.47) GSK3BFLT1FLT4KDRPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115088722-B Application, method and composition of diphenyl ether compound containing triazole structure in preventing and controlling plant diseases 海利尔药业集团股份有限公司 2024-06-21 CN disclosed
CN-115088722-A Application, method and composition of diphenyl ether compound containing triazole structure in prevention or control of plant diseases 海利尔药业集团股份有限公司 2022-09-23 CN disclosed
US-10759767-B2 Compositions comprising a triazole compound BASF Agro B.V. (NL) 2020-09-01 US disclosed
US-10358426-B2 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds BASF Agro B.V. (NL) 2019-07-23 US disclosed
EP-3498098-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2019-06-19 EP disclosed
US-20170081296-A1 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds BASF AGRO BV (NL) 2017-03-23 US disclosed
EP-2731935-B1 FUNGICIDAL SUBSTITUTED 2-[2-HALOGENALKYL-4-(PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF AGRO BV (NL) 2016-03-09 EP disclosed
US-20150344445-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2015-12-03 US disclosed
EP-2934147-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2015-10-28 EP disclosed
WO-2014095994-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF SE (DE) 2014-06-26 WO disclosed
US-20140155262-A1 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds BASF SE (DE) 2014-06-05 US disclosed
EP-2731935-A1 FUNGICIDAL SUBSTITUTED 2-[2-HALOGENALKYL-4-(PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF SE (DE) 2014-05-21 EP disclosed
WO-2013007767-A1 FUNGICIDAL SUBSTITUTED 2-[2-HALOGENALKYL-4-(PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF SE (DE) 2013-01-17 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 (5 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-20140155262-A1 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds CYP2E1, TH, CYP1A1 AR 3165/4885GSK3B 1803/4885THRA 2760/4885
US-20150344445-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND CYP1B1, CYP3A5, CYP4B1 AR 1808/4885GSK3B 494/4885THRA 3120/4885
US-20170081296-A1 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds CYP2E1, TH, CYP1A1 AR 3165/4885GSK3B 1803/4885THRA 2760/4885
US-10358426-B2 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds CYP2E1, TH, CYP1A1 AR 3165/4885GSK3B 1803/4885THRA 2760/4885
US-10759767-B2 Compositions comprising a triazole compound CYP1B1, CYP3A5, CYP4B1 AR 1808/4885GSK3B 494/4885THRA 3120/4885

“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.