SCHEMBL14645660

SCHEMBL14645660

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.54
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
ESRRA P11474 1/20 0.43
TLR8 Q9NR97 1/20 0.43
BRAF P15056 5/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
RAF1 P04049 1/20 0.42
ARAF P10398 1/20 0.42
MAPK10 P53779 1/20 0.41

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 1.00 AR (0.54) ARMAOAMAOBESRRATLR8
SCHEMBL20000656 0.90 ESRRA (0.46) ARMAOAMAOBESRRATLR8
SCHEMBL29093106 0.88 AR (0.56) ARTLR8FLT1FLT4KDR
SCHEMBL28036772 0.88 AR (0.56) ARMAOAMAOBESRRATLR8
SCHEMBL28661823 0.87 AR (0.55) ARTLR8BRAFHDAC1HDAC3
SCHEMBL18970462 0.87 MGLL (0.44) ARMAOAMAOBESRRATLR8
SCHEMBL22407060 0.87 CES2 (0.50) ARMAOBESRRATLR8KMT2A
SCHEMBL22115444 0.86 AR (0.42) ARMAOAMAOBESRRATLR8
SCHEMBL28665319 0.86 AR (0.51) ARESRRATLR8MAPK10FLT1
SCHEMBL22407077 0.85 MAOB (0.43) ARMAOAMAOBESRRATLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069588-A Preparation method and application of 4-nitro-2-trifluoromethyl acetophenone 合力科技股份有限公司 2023-11-17 CN claimed
WO-2023216064-A1 METHOD FOR PREPARING 4-NITRO-2-TRIFLUOROMETHYL ACETOPHENONE AND USE THEREOF 合力科技股份有限公司 2023-11-16 WO claimed
CN-116354896-A Technological method for preparing penconazole by continuous flow micro-channel 西安近代化学研究所 2023-06-30 CN claimed
WO-2024083545-A1 PROCESS FOR THE PREPARATION OF 4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL GRIGNARD COMPOUND AND DERIVATIVES THEREOF BASF Agro B.V. (NL) 2024-04-25 WO disclosed
US-11840507-B2 Process for the preparation of phenyl ketones ARXADA AG (CH) 2023-12-12 US disclosed
US-11840507-B2 Process for the preparation of phenyl ketones ARXADA AG (CH) 2023-12-12 US disclosed
CN-117069556-A Preparation method and application of alkylaryl ketone compound 合力科技股份有限公司 2023-11-17 CN disclosed
CN-117069614-A Preparation method and application of 2-substituted aryl acetonitrile compound 合力科技股份有限公司 2023-11-17 CN disclosed
WO-2023216064-A1 METHOD FOR PREPARING 4-NITRO-2-TRIFLUOROMETHYL ACETOPHENONE AND USE THEREOF 合力科技股份有限公司 2023-11-16 WO disclosed
WO-2023216064-A1 METHOD FOR PREPARING 4-NITRO-2-TRIFLUOROMETHYL ACETOPHENONE AND USE THEREOF 合力科技股份有限公司 2023-11-16 WO disclosed
WO-2023216063-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYL ACETONITRILE COMPOUND AND USE THEREOF 合力科技股份有限公司 2023-11-16 WO 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 (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-20140155262-A1 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds CYP2E1, TH, CYP1A1 AR 3165/4885MAOA 425/4885MAOB 663/4885
US-20150344445-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND CYP1B1, CYP3A5, CYP4B1 AR 1808/4885MAOA 94/4885MAOB 92/4885
US-11840507-B2 Process for the preparation of phenyl ketones PAH, PDK4, PKM AR 2287/4885MAOA 390/4885MAOB 261/4885

“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.