SCHEMBL23957193

SCHEMBL23957193

Bc1c(O)c(O)c(O)c(C#N)c1O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL23957252 0.95 KDM4E (0.39) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL23957251 0.92 KDM4E (0.37) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL23957243 0.89 KDM4E (0.39) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL19561487 0.86 KDM4E (0.37) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL23957188 0.86 KDM4E (0.37) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL21929108 0.84 KDM4E (0.36) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL23957344 0.84 KDM4E (0.36) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL23957203 0.84 KDM4E (0.36) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL24161842 0.83 KDM4E (0.39) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL23957247 0.83 KDM4E (0.39) KDM4EMEN1ALDH1A1GAAMAPT

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-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2021-10-28 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-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME INTS9, GTF2I, BRI3BP KDM4E 1054/4885MEN1 1636/4885ALDH1A1 666/4885

“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.