SCHEMBL554230

SCHEMBL554230

Fc1ccccc1C(F)(F)N(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 6/20 0.37
SLC22A12 Q96S37 2/20 0.33
ACHE P22303 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
NFE2L2 Q16236 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
HSD11B1 P28845 1/20 0.31
KIF11 P52732 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL888536 0.79 KCNN4 (0.33) KCNN4SLC22A12KCNE1KCNQ1
SCHEMBL4458987 0.78 IDO1 (0.38) KCNN4KCNE1KCNQ1NFE2L2
Water SCHEMBL27483772 0.77 KCNN4 (0.33) KCNN4
SCHEMBL7633389 0.77 AR (0.36) KCNN4
Hydrochloric Acid SCHEMBL9803342 0.77 KCNN4 (0.33) KCNN4
SCHEMBL2525080 0.75 KCNN4 (0.44) KCNN4SLC22A12ACHEKCNE1KCNQ1
SCHEMBL29466225 0.74 SLC22A12 (0.46) KCNN4SLC22A12ACHEHSD11B1KIF11
SCHEMBL10602905 0.74 KCNN4 (0.42) KCNN4SLC22A12ACHEKCNE1KCNQ1
SCHEMBL169053 0.74 SLC22A12 (0.46) KCNN4SLC22A12ACHEHSD11B1KIF11
SCHEMBL7633380 0.73 AR (0.33) KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63258452-A None JP disclosed
CN-114015063-B Nitro-ligand-doped zeolitic imidazolate framework material ZIF-71-clnIm x Preparation and use of 太原理工大学 2023-01-10 CN disclosed
CN-114751807-A Novel efficient preparation process of 2,3,5, 6-tetrafluorobenzyl alcohol 忠同科技(大连)有限公司 2022-07-15 CN disclosed
CN-114015063-A Nitro-ligand-doped zeolitic imidazolate framework material ZIF-71-clnImxPreparation and use of 太原理工大学 2022-02-08 CN disclosed
US-8110695-B2 Compounds and compositions containing silicon and/or other heteroatoms and/or metals and methods of making and using them WELKER MARK E (US) 2012-02-07 US disclosed
US-20100056801-A1 Compounds And Compositions Containing Silicon And/Or Other Heteroatoms And/Or Metals And Methods of Making And Using Them WELKER MARK E 2010-03-04 US disclosed
WO-2008054718-A2 COMPOUNDS AND COMPOSITIONS CONTAINING SILICON AND/OR OTHER HETEROATOMS AND/OR METALS AND METHODS OF MAKING AND USING THEM WAKE FOREST UNIVERSITY (US) 2008-05-08 WO disclosed
EP-0910380-B1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS INC (US) 2003-08-13 EP disclosed
US-6403831-B1 5,6-DIFLUORO-2-METHYL-1-(3,4,5-TRIMETHOXY-BENZYLIDENE)-3-(N-BE NZYL)-INDENYL ACETAMIDE; ANTITUMOR AND ANTICARCINOGENIC AGENT USED TO TREAT PRECANCEROUS LESIONS CELL PATHWAYS, INC. 2002-06-11 US disclosed
EP-0819000-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2001-04-11 EP disclosed
WO-1996029073-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-09-26 WO disclosed
EP-0452055-B1 Surfaces with reduced protein interactions HEWLETT PACKARD CO (US) 1995-01-11 EP disclosed
EP-0377649-B1 HALOGENATED SURFACE WITH REDUCED PROTEIN INTERACTION Hewlett-Packard Company (US) 1993-03-10 EP disclosed
US-5114768-A Electrophoretic protein separation HEWLETT-PACKARD COMPANY (US) 1992-05-19 US disclosed
EP-0452055-A1 Surfaces with reduced protein interactions Hewlett-Packard Company (US) 1991-10-16 EP disclosed
US-5006313-A Halogenated surface with reduced protein interaction HEWLETT-PACKARD COMPANY (US) 1991-04-09 US disclosed
EP-0377649-A1 HALOGENATED SURFACE WITH REDUCED PROTEIN INTERACTION. HEWLETT PACKARD CO (US) 1990-07-18 EP disclosed
WO-1989012225-A1 HALOGENATED SURFACE WITH REDUCED PROTEIN INTERACTION HEWLETT-PACKARD COMPANY (US) 1989-12-14 WO disclosed
JP-S63258452-A MONOMER CONTAINING FLUORINATED AROMATIC GROUP AND POLYMER PRODUCED THEREFROM NIPPON SHOKUBAI KAGAKU KOGYO CO LTD 1988-10-25 JP disclosed
US-3946063-A 2,3,4,5,6-PENTAFLUOROBENZYL CHLOROFORMATE PIERCE CHEMICAL COMPANY (US) 1976-03-23 US 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 (1 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-20100056801-A1 Compounds And Compositions Containing Silicon And/Or Other Heteroatoms And/Or Metals And Methods of Making And Using Them CA6, SOD1, CA1 KCNN4 884/4885SLC22A12 976/4885ACHE 861/4885

“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.