SCHEMBL9908188

SCHEMBL9908188

O=C(CCc1c[nH]c(C(=O)OCc2ccccc2)c1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
MMP2 P08253 4/20 0.48
MMP12 P39900 4/20 0.48
MMP9 P14780 3/20 0.48
MMP1 P03956 3/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 1/20 0.43
APP P05067 1/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.41
DAO P14920 1/20 0.41

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
SCHEMBL20016726 0.83 MMP2 (0.52) TDP1MMP2MMP12MMP9MMP1
SCHEMBL8540180 0.82 MMP2 (0.51) TDP1MMP2MMP12MMP9MMP1
SCHEMBL19502542 0.80 DAO (0.65) TDP1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL304176 0.79 TDP1 (0.78) TDP1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL20286056 0.78 MMP2 (0.48) TDP1MMP2MMP12MMP9MMP1
SCHEMBL20016727 0.78 MMP2 (0.48) TDP1MMP2MMP12MMP9MMP1
SCHEMBL28207503 0.77 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1KMT2A
Ammonia Solution, Strong SCHEMBL28588274 0.77 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1KMT2A
Bicarbonate SCHEMBL7699565 0.77 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL2514087 0.77 MMP2 (0.52) TDP1MMP2MMP12MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197759-B2 Bodipy fluorophore dyes useful in the labeling and identification of proteins; highly soluble MONTANA STATE UNIVERSITY (US) 2012-06-12 US disclosed
US-8197758-B2 Bodipy fluorophore dyes useful in the labeling and identification of proteins; highly soluble MONTANA STATE UNIVERSITY (US) 2012-06-12 US disclosed
US-8197759-B2 Bodipy fluorophore dyes useful in the labeling and identification of proteins; highly soluble MONTANA STATE UNIVERSITY (US) 2012-06-12 US disclosed
US-8197758-B2 Bodipy fluorophore dyes useful in the labeling and identification of proteins; highly soluble MONTANA STATE UNIVERSITY (US) 2012-06-12 US disclosed
US-7833799-B2 Zwitterionic dyes for labeling in proteomic and other biological analyses MONTANA STATE UNIVERSITY (US) 2010-11-16 US disclosed
US-7833799-B2 Zwitterionic dyes for labeling in proteomic and other biological analyses MONTANA STATE UNIVERSITY (US) 2010-11-16 US disclosed
US-20100203645-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANAYLSES NATIONAL SCIENCE FOUNDATION 2010-08-12 US disclosed
US-20100203645-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANAYLSES NATIONAL SCIENCE FOUNDATION 2010-08-12 US disclosed
US-20100036133-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2010-02-11 US disclosed
US-20100036133-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2010-02-11 US disclosed
US-7582260-B2 Zwitterionic dyes for labeling in proteomic and other biological analyses MONTANA STATE UNIVERSITY (US) 2009-09-01 US disclosed
US-7582260-B2 Zwitterionic dyes for labeling in proteomic and other biological analyses MONTANA STATE UNIVERSITY (US) 2009-09-01 US disclosed
US-20070259333-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2007-11-08 US disclosed
US-20070259333-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2007-11-08 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-20100203645-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANAYLSES ACP1, ANXA5, CHAMP1 TDP1 3114/4885MMP2 1257/4885MMP12 316/4885
US-20100036133-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES CHAMP1, ANXA5, ANXA3 TDP1 3511/4885MMP2 2925/4885MMP12 712/4885

“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.