SCHEMBL22899017

SCHEMBL22899017

C=C(C)Cn1c(=O)n(CC)c(=O)n(CC(=C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.36
GSK3A P49840 4/20 0.34
GSK3B P49841 4/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 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
SCHEMBL22899016 1.00 HTT (0.41) HTTALDH1A1TSHRGSK3AGSK3B
SCHEMBL295471 0.91 HTT (0.46) HTTALDH1A1TSHRHSD17B10MAPK1
SCHEMBL24404215 0.87 RGS4 (0.41) HTTGSK3AGSK3BL3MBTL1MAPT
SCHEMBL23004641 0.87 RGS4 (0.41) HTTALDH1A1TSHRGSK3AGSK3B
SCHEMBL11187717 0.84 HTT (0.42) HTTALDH1A1TSHRHSD17B10MAPK1
SCHEMBL22898910 0.83 HTT (0.40) HTTALDH1A1HSD17B10MAPK1CYP3A4
SCHEMBL22899034 0.83 HTT (0.40) HTTALDH1A1HSD17B10MAPK1CYP3A4
SCHEMBL23768669 0.82 HTT (0.41) HTTALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL19722541 0.82 HTT (0.43) HTTALDH1A1HSD17B10MAPK1KDM4E
SCHEMBL11182513 0.80 HTT (0.41) HTTALDH1A1TSHRMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3780226-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2022-05-11 EP disclosed
EP-3780226-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2021-02-17 EP disclosed
US-20210020991-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2021-01-21 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-20210020991-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY SLC9B2, SLC9A1, SLC9A2 HTT 4397/4885ALDH1A1 3675/4885TSHR 4689/4885

“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.