SCHEMBL31452272

SCHEMBL31452272

O=C1N[C@H]2[C@H](O)[C@H](O)[C@@H](O)C[C@@H]2c2cc(O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
KRAS P01116 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
ESR1 P03372 1/20 0.32
UGT1A1 P22309 1/20 0.32
ESR2 Q92731 1/20 0.32
GLA P06280 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
PARP1 P09874 1/20 0.30
KMT2A Q03164 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
SCHEMBL31452313 0.82 METAP1 (0.36) ALDH1A1HPGDGAAKMT2A
SCHEMBL13153860 0.76 PAX8 (0.45) ALDH1A1HPGDGAAHSD17B10
SCHEMBL31452279 0.73 KRAS (0.34) KRASHSD17B10KMT2A
SCHEMBL31452289 0.72 HTR2A (0.35) CHRNB2CHRNA4ALDH1A1HPGDGAA
SCHEMBL18786964 0.71 MKNK2 (0.46) DYRK1AKRASMAOAMAOBESR1
SCHEMBL14732744 0.66 CYP3A4 (0.48)
SCHEMBL14732745 0.66 CYP3A4 (0.48)
SCHEMBL31452285 0.66 POLL (0.44) ALDH1A1HPGDGAAHSD17B10HTR2A
SCHEMBL18803741 0.64 PAX8 (0.41) ALDH1A1HPGDGAAHSD17B10
SCHEMBL13827495 0.60 NR0B1 (0.44) KRASGAAHSD17B10HTR2AHTR2C

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-20250066306-A1 COMPOUNDS FOR TREATING MICROBIAL INFECTIONS, METHODS OF MAKING AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2025-02-27 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-20250066306-A1 COMPOUNDS FOR TREATING MICROBIAL INFECTIONS, METHODS OF MAKING AND USES THEREOF ATF4, ATF1, CGAS DYRK1A 4706/4885KRAS 1729/4885CHRNB2 4780/4885

“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.