SCHEMBL2167804

SCHEMBL2167804

O=C(O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)c(Cl)c2Oc2c(Cl)c(O)c(C(=O)O)c(C(=O)O)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.43
GNG2 P59768 1/20 0.42
GNB1 P62873 1/20 0.42
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
THRB P10828 3/20 0.35
RECQL P46063 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRMT1 Q99873 1/20 0.35
DHFR P00374 4/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL29401708 0.88 GNG2 (0.50) SMAD3GNG2GNB1GAAPKM
SCHEMBL15019692 0.88 GNG2 (0.50) SMAD3GNG2GNB1GAAPKM
SCHEMBL20526344 0.85 SMAD3 (0.41) SMAD3GNG2GNB1GAAPKM
SCHEMBL20526266 0.84 SMAD3 (0.49) SMAD3GNG2GNB1GAAPKM
SCHEMBL6823049 0.78 RECQL (0.43) SMAD3GNG2GNB1GAAPKM
SCHEMBL202849 0.77 RECQL (0.42) SMAD3GNG2GNB1GAAPKM
SCHEMBL3390818 0.77 TDP1 (0.41) SMAD3GNG2GNB1GAAPKM
SCHEMBL3717351 0.77 SMAD3 (0.45) SMAD3GNG2GNB1GAAPKM
SCHEMBL20841470 0.76 GAA (0.42) SMAD3GNG2GNB1GAAPKM
SCHEMBL31001054 0.75 GNG2 (0.50) SMAD3GNG2GNB1GAAPKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371927-B1 Fluorescent dye compounds, conjugates and uses thereof LIFE TECHNOLOGIES CORP (US) 2020-03-11 EP claimed
US-8729267-B2 Fluorescent dye compounds, conjugates and uses thereof APPLIED BIOSYSTEMS, LLC (US) 2014-05-20 US claimed
US-20110250699-A1 Fluorescent Dye Compounds, Conjugates and Uses Thereof Life Technologies Corporation (US) 2011-10-13 US claimed
EP-2371927-A1 Fluorescent dye compounds, conjugates and uses thereof Life Technologies Corporation (US) 2011-10-05 EP claimed
US-7985602-B2 Fluorescent dye compounds, conjugates and uses thereof APPLIED BIOSYSTEMS, LLC (US) 2011-07-26 US claimed
US-20090093062-A1 Fluorescent Dye Compounds, Conjugates and Uses Thereof APPLERA CORPORATION (US) 2009-04-09 US claimed

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-20090093062-A1 Fluorescent Dye Compounds, Conjugates and Uses Thereof GFPT1, SLC46A1, SLC7A5 SMAD3 3741/4885GNG2 1559/4885GNB1 1485/4885
US-20110250699-A1 Fluorescent Dye Compounds, Conjugates and Uses Thereof GFPT1, SLC46A1, SLC7A5 SMAD3 3741/4885GNG2 1559/4885GNB1 1485/4885

“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.