SCHEMBL12639986

SCHEMBL12639986

CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc(I)ccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.77
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
HTT P42858 2/20 0.77
ALDH1A1 P00352 2/20 0.77
USP2 O75604 2/20 0.77
LMNA P02545 1/20 0.77
GSTP1 P09211 1/20 0.71
CYP3A4 P08684 1/20 0.52
FTO Q9C0B1 8/20 0.49
RECQL P46063 2/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
SMAD3 P84022 1/20 0.46
PRMT1 Q99873 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL12576106 0.95 MAPT (0.69) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL14771618 0.92 MEN1 (0.75) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL14768995 0.87 MAPT (0.68) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL20353147 0.87 MAPT (0.78) MAPTMEN1KMT2AHTTALDH1A1
Fluorescein Diacetate SCHEMBL29353816 0.87 MAPT (1.00) MAPTMEN1KMT2AHTTALDH1A1
Fluorescein Diacetate SCHEMBL31658971 0.87 MAPT (1.00) MAPTMEN1KMT2AHTTALDH1A1
Fluorescein Diacetate SCHEMBL1028369 0.87 MAPT (1.00) MAPTMEN1KMT2AHTTALDH1A1
Fluorescein Diacetate SCHEMBL29453229 0.87 MAPT (1.00) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL29403728 0.86 MEN1 (0.77) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL12639984 0.86 MEN1 (0.77) MAPTMEN1KMT2AHTTALDH1A1

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-8394850-B2 Fluorescent probe specific to hydrogen peroxide THE UNIVERSITY OF TOKYO (JP) 2013-03-12 US disclosed
US-20110159603-A1 FLUORESCENT PROBE SPECIFIC TO HYDROGEN PEROXIDE THE UNIVERSITY OF TOKYO (JP) 2011-06-30 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-20110159603-A1 FLUORESCENT PROBE SPECIFIC TO HYDROGEN PEROXIDE GPX4, PRDX3, GPX1 MAPT 4780/4885MEN1 3323/4885KMT2A 3736/4885

“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.