SCHEMBL840931

SCHEMBL840931

CC(C)(C)OCc1ccccc1-c1c2ccc(=O)c(Cl)c-2oc2c(Cl)c(O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.44
USP2 O75604 1/20 0.44
NSD2 O96028 1/20 0.44
ALPL P05186 1/20 0.44
PLCG1 P19174 1/20 0.44
TNNI3 P19429 1/20 0.44
NFKB1 P19838 1/20 0.44
TNNT2 P45379 1/20 0.44
MMP14 P50281 1/20 0.44
CASP6 P55212 1/20 0.44
TNNC1 P63316 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GNG2 P59768 2/20 0.42
GNB1 P62873 2/20 0.42
PTPN7 P35236 1/20 0.36
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34

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
SCHEMBL840925 0.83 MEN1 (0.40) KDM4AUSP2NSD2ALPLPLCG1
SCHEMBL1645805 0.77 GNG2 (0.70) KDM4AUSP2NSD2ALPLPLCG1
SCHEMBL841016 0.67 MEN1 (0.60) USP2ALPLL3MBTL1GNG2GNB1
SCHEMBL10293755 0.63 GNG2 (0.56) KDM4AUSP2NSD2ALPLPLCG1
Pyrogallol Red SCHEMBL3398009 0.61 NFKB1 (1.00) KDM4AUSP2NSD2ALPLPLCG1
Pyrogallol Red SCHEMBL29441973 0.61 NFKB1 (1.00) KDM4AUSP2NSD2ALPLPLCG1
SCHEMBL30629209 0.60 ESR2 (0.66) NSD2NFKB1KDM4CESR1ESR2
SCHEMBL26766942 0.60 ESR2 (0.66) NSD2NFKB1KDM4CESR1ESR2
SCHEMBL13320794 0.60 GNG2 (0.69) KDM4AUSP2NSD2ALPLPLCG1
SCHEMBL14001247 0.60 GNG2 (0.70) KDM4AUSP2NSD2ALPLPLCG1

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-8143069-B2 useful for selective measurement of hypochlorite ion; does not react with hydrogen peroxide which is a weakly reactive oxygen species, and does not induce increase of fluorescence with hydroxyl radical or peroxynitrite which are reactive oxygen species having high activity THE UNIVERSITY OF TOKYO (JP) 2012-03-27 US disclosed
US-20090317914-A1 FLUORESCENT PROBE THE UNIVERSITY OF TOKYO (JP) 2009-12-24 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-20090317914-A1 FLUORESCENT PROBE H1-10, H1-0, NHERF1 KDM4A 3594/4885USP2 2992/4885NSD2 2656/4885

“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.