SCHEMBL9908154

SCHEMBL9908154

CC1=CC(CCC(=O)O)=[N+]2C1=Cc1c(CCC[N+](C)(C)C)cc(-c3ccccc3)n1[B-]2(F)F

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL13103029 0.91 KDM4E (0.30) KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL13103021 0.88 MTNR1A (0.31)
SCHEMBL13103075 0.88 ALDH1A1 (0.36) KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL9908157 0.87 PSMB8 (0.38)
SCHEMBL9908167 0.86 PRSS1 (0.31)
SCHEMBL9908189 0.85
SCHEMBL9908197 0.83 PTGER1 (0.31) KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL9908160 0.83
SCHEMBL9908166 0.81
SCHEMBL9908171 0.78

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 8 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-7833799-B2 Zwitterionic dyes for labeling in proteomic and other biological analyses MONTANA STATE UNIVERSITY (US) 2010-11-16 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF KDM4E 2452/4885ALDH1A1 2137/4885ALOX15 2008/4885
US-20100203645-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANAYLSES ACP1, ANXA5, CHAMP1 KDM4E 1314/4885ALDH1A1 2412/4885ALOX15 3850/4885
US-20100036133-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES CHAMP1, ANXA5, ANXA3 KDM4E 1701/4885ALDH1A1 3530/4885ALOX15 4382/4885

“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.