SCHEMBL21392221

SCHEMBL21392221

C=Cc1cccc2c(CC(CCN)C(=O)O)c(C)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.35
FBP1 P09467 2/20 0.33
ALDH1A1 P00352 4/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
RAD52 P43351 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BTK Q06187 1/20 0.31
EGFR P00533 1/20 0.31
HPGD P15428 2/20 0.30
THRB P10828 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
SCHEMBL23226277 0.84 KDM4E (0.44) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL18029162 0.84 MAPT (0.44) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL23226435 0.84 KDM4E (0.44) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL20935252 0.81 KDM4E (0.41) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL20934913 0.79 KDM4E (0.40) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL4561008 0.77 KDM4E (0.68) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL23226302 0.77 GRIK1 (0.31) GRIK1GRIK2
SCHEMBL18509893 0.75 EGFR (0.51) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL4561225 0.71 KDM4E (0.48) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL28797748 0.70 RAD52 (0.44) KDM4EGAAMAPTMEN1KMT2A

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-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 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 (2 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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 KDM4E 2974/4885GAA 1343/4885MAPT 3914/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 KDM4E 2974/4885GAA 1343/4885MAPT 3914/4885

“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.