SCHEMBL14645574

SCHEMBL14645574

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.50
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 2/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
PPARD Q03181 1/20 0.39
MAPK10 P53779 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TLR8 Q9NR97 1/20 0.39
BRAF P15056 2/20 0.39
RAF1 P04049 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL29741809 0.85 AR (0.54) ARMAPK10TLR8BRAFRAF1
SCHEMBL14645660 0.85 AR (0.54) ARMAPK10TLR8BRAFRAF1
SCHEMBL29093106 0.84 AR (0.56) ARPPARGPPARATLR8FLT1
SCHEMBL21725656 0.84 RAB9A (0.47) NPSR1L3MBTL1KDM4ECYP1A2CYP2C19
SCHEMBL28661823 0.83 AR (0.55) ARPPARGPPARAHTR2ASLC6A4
SCHEMBL28665319 0.82 AR (0.51) ARHTR2ASLC6A4KCNH2MAPK10
SCHEMBL26440433 0.81 LIMK1 (0.49) NPSR1ATMMEN1KMT2A
SCHEMBL28036772 0.81 AR (0.56) ARHTR2ASLC6A4KCNH2MAPK10
SCHEMBL28522584 0.81 AR (0.50) ARPPARGPPARAHTR2ASLC6A4
SCHEMBL28039336 0.81 AR (0.50) ARPPARGPPARAHTR2ASLC6A4

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112047895-B Triazole compound, and preparation method and application thereof 东莞市东阳光农药研发有限公司 2024-05-14 CN disclosed
CN-107488154-B Process for preparing substituted oxiranes and triazoles 巴斯夫农业公司 2021-04-27 CN disclosed
US-10981883-B2 Process for the preparation of substituted oxiranes and triazoles BASF Agro B.V. (NL) 2021-04-20 US disclosed
CN-112047895-A Triazole compound and preparation method and application thereof 东莞市东阳光农药研发有限公司 2020-12-08 CN disclosed
US-10759767-B2 Compositions comprising a triazole compound BASF Agro B.V. (NL) 2020-09-01 US disclosed
US-20200095215-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED OXIRANES AND TRIAZOLES BASF AGRO BV (NL) 2020-03-26 US disclosed
EP-3083540-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENOXYPHENYL KETONES BASF AGRO BV (NL) 2019-11-20 EP 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-3219707-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED OXIRANES AND TRIAZOLES BASF AGRO BV (NL) 2019-06-26 EP disclosed
EP-3498098-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2019-06-19 EP disclosed
US-20160002189-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED OXIRANES AND TRIAZOLES BASF Agro B.V. (NL) 2016-01-07 US disclosed
US-20150344445-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2015-12-03 US disclosed
EP-2943476-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED OXIRANES AND TRIAZOLES BASF Agro B.V. (NL) 2015-11-18 EP disclosed
EP-2934147-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2015-10-28 EP disclosed
WO-2015091045-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENOXYPHENYL KETONES BASF Agro B.V. (NL) 2015-06-25 WO disclosed
WO-2014108286-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED OXIRANES AND TRIAZOLES BASF SE (DE) 2014-07-17 WO 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 (7 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-10981883-B2 Process for the preparation of substituted oxiranes and triazoles OXER1, OXGR1, OXA1L AR 3608/4885PPARG 1277/4885PPARA 1339/4885
US-20140155262-A1 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds CYP2E1, TH, CYP1A1 AR 3165/4885PPARG 1325/4885PPARA 1584/4885
US-20150344445-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND CYP1B1, CYP3A5, CYP4B1 AR 1808/4885PPARG 584/4885PPARA 1951/4885
US-20160002189-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED OXIRANES AND TRIAZOLES OXER1, OXGR1, OXA1L AR 3537/4885PPARG 1204/4885PPARA 1221/4885
US-20200095215-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED OXIRANES AND TRIAZOLES OXER1, OXGR1, OXA1L AR 3608/4885PPARG 1277/4885PPARA 1339/4885
US-10358426-B2 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds CYP2E1, TH, CYP1A1 AR 3165/4885PPARG 1325/4885PPARA 1584/4885
US-10759767-B2 Compositions comprising a triazole compound CYP1B1, CYP3A5, CYP4B1 AR 1808/4885PPARG 584/4885PPARA 1951/4885

“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.