SCHEMBL22334452

SCHEMBL22334452

CCOC(=O)C(=O)OC/C(=C/CC(F)(F)F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.34
GLO1 Q04760 1/20 0.34
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
ACHE P22303 5/20 0.32
CES2 O00748 4/20 0.32
CES1 P23141 4/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
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
SCHEMBL22334458 0.87 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL22334462 0.86 NPSR1 (0.36) NPSR1GLO1HDAC4HDAC6HDAC3
SCHEMBL22334448 0.82
SCHEMBL22334460 0.81 NPSR1 (0.35) NPSR1GLO1HDAC4HDAC6HDAC3
SCHEMBL22666398 0.80 CES2 (0.32) HDAC4HDAC6HDAC3HDAC1CES2
SCHEMBL8164343 0.77 NPSR1 (0.48) NPSR1GLO1MAPTMEN1KMT2A
SCHEMBL22334461 0.75 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL22334444 0.71 HTT (0.30)
SCHEMBL22666397 0.70 NPSR1 (0.37) NPSR1GLO1HDAC4HDAC6HDAC3
SCHEMBL22334442 0.69 ALDH1A1 (0.42) NPSR1GLO1HDAC4HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200365945-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE DAIKIN INDUSTRIES, LTD. (JP) 2020-11-19 US disclosed
EP-3694041-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE Daikin Industries, Ltd. (JP) 2020-08-12 EP 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-20200365945-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE RER1, CLIC1, PEF1 NPSR1 2799/4885GLO1 3290/4885HDAC4 3512/4885

“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.