SCHEMBL22334512

SCHEMBL22334512

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.32
XBP1 P17861 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 2/20 0.31
TET2 Q6N021 1/20 0.31

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
SCHEMBL22334435 0.90 THRB (0.32) ALDH1A1MAPTTHRBTSHR
SCHEMBL22334502 0.85 ALDH1A1 (0.40) ALDH1A1MAPTTHRBTSHR
SCHEMBL22334441 0.81 ALDH1A1 (0.43) ALDH1A1MAPTMEN1XBP1KMT2A
SCHEMBL22334447 0.79 ALDH1A1 (0.39) ALDH1A1MAPTTHRBTSHR
SCHEMBL22334454 0.72 TSHR (0.39) ALDH1A1THRBTSHR
SCHEMBL8898188 0.70 ALDH1A1 (0.61) ALDH1A1THRBTSHRTET2
SCHEMBL22334432 0.69 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL29026867 0.67 MGAM (0.44) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL30980015 0.67 HTT (0.48) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL2548692 0.66 ACHE (0.42) ALDH1A1THRBTSHRTET2

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 ALDH1A1 2101/4885MAPT 4622/4885MEN1 153/4885

“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.