SCHEMBL1706470

SCHEMBL1706470

CCC(F)(F)C(F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RNPEP Q9H4A4 1/20 0.31
FFAR3 O14843 1/20 0.30
TSHR P16473 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
SCHEMBL1708129 0.81 MAPT (0.38) MAPTCHRM1AKR1A1CHRM3HTR2A
SCHEMBL5936811 0.77 CHRM1 (0.35) MAPTCHRM1AKR1A1CHRM3HTR2A
SCHEMBL27783691 0.75 MAPT (0.35) MAPTCHRM1AKR1A1CHRM3HTR2A
SCHEMBL15402934 0.74
SCHEMBL1707421 0.73 LMNA (0.35) MAPTCHRM1AKR1A1CHRM3HTR2A
SCHEMBL28221463 0.73 CYP2D6 (0.34) MAPTCHRM1AKR1A1CHRM3HTR2A
SCHEMBL29186047 0.71
SCHEMBL1708138 0.70
SCHEMBL25283329 0.70
SCHEMBL5936759 0.70 CHRM1 (0.44) MAPTCHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835656-A 1,3, 4-oxadiazole ethyl acetate and synthesis method thereof 天津中医药大学 2022-08-02 CN claimed
CN-115954542-A Lithium ion battery electrolyte and lithium ion battery 九江天赐高新材料有限公司 2023-04-11 CN disclosed
CN-115668569-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2023-01-31 CN disclosed
CN-115668571-A Electrolyte solution, electrochemical device, lithium ion secondary battery, module, and compound 大金工业株式会社 2023-01-31 CN disclosed
CN-114835656-A 1,3, 4-oxadiazole ethyl acetate and synthesis method thereof 天津中医药大学 2022-08-02 CN disclosed
CN-114835656-A 1,3, 4-oxadiazole ethyl acetate and synthesis method thereof 天津中医药大学 2022-08-02 CN disclosed
US-9283199-B2 Halogenated aliphatic carboxylic acids, oligomers and/or polymers thereof and their use in devitalizing external and internal neoplasms CIMAS LIMITED (CY) 2016-03-15 US disclosed
US-20160067198-A1 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS CIMAS LIMITED (CY) 2016-03-10 US disclosed
US-20150244026-A1 LITHIUM-ION SECONDARY BATTERY AND FORMULA FOR GEL ELECTROLYTE THEREOF DONGGUAN AMPEREX TECHNOLOGY LIMITED (CN) 2015-08-27 US disclosed
EP-2440198-A2 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS Mardi Medicines Ltd. (IL) 2012-04-18 EP disclosed
US-20110052641-A1 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS MARDI MEDICINES LTD. (IL) 2011-03-03 US disclosed
WO-2010143188-A2 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS MARDI MEDICINES LTD. (IL) 2010-12-16 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 (2 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-20160067198-A1 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS CCR10, PBK, CCR3 MAPT 3567/4885CHRM1 2072/4885AKR1A1 1744/4885
US-20110052641-A1 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS CCR10, PBK, CCR3 MAPT 3567/4885CHRM1 2072/4885AKR1A1 1744/4885

“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.