SCHEMBL22899028

SCHEMBL22899028

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.37
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
PTAFR P25105 1/20 0.31
HTR2B P41595 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
SCHEMBL19116664 0.93 HTT (0.39) GRM2HTTMAPK1ALDH1A1
SCHEMBL19722541 0.87 HTT (0.43) HTTMAPK1ALDH1A1POLB
SCHEMBL22898911 0.87 HTT (0.34) HTTMAPK1
SCHEMBL22899088 0.84 RGS4 (0.42) HTT
SCHEMBL22899026 0.83 HTT (0.47) HTTMAPK1ALDH1A1POLB
SCHEMBL18927853 0.82 RGS4 (0.41) HTTALDH1A1
SCHEMBL295471 0.79 HTT (0.46) HTTMAPK1ALDH1A1
SCHEMBL11187717 0.77 HTT (0.42) HTTMAPK1ALDH1A1POLB
SCHEMBL19722545 0.76 CYP3A4 (0.55) HTTMAPK1ALDH1A1
SCHEMBL15693098 0.74 GRM2 (0.39) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRM2 2916/4885HTT 4397/4885MAPK1 556/4885

“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.