SCHEMBL10090477

SCHEMBL10090477

COC(=O)CCCCCC1(C)C(C)=Nc2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPRC P08575 2/20 0.32
PTPN13 Q12923 1/20 0.32
DYRK1A Q13627 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
LTB4R Q15722 1/20 0.32
S1PR3 Q99500 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL13264903 0.99 ALDH1A1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL20767546 0.90 ALDH1A1 (0.35) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL18386292 0.90 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL881201 0.88 ALDH1A1 (0.35) ALDH1A1GAAS1PR3
SCHEMBL13264906 0.86 CYP26B1 (0.35) ALDH1A1GAAS1PR3
SCHEMBL17483208 0.86 HDAC8 (0.36) ALDH1A1CA1CA2KDM4EGAA
SCHEMBL2721464 0.85 P2RX3 (0.35) ALDH1A1GAAS1PR3
SCHEMBL20776003 0.85 MAPT (0.34) ALDH1A1CA1CA2KDM4EGAA
SCHEMBL560019 0.84 CA2 (0.31) CA2S1PR3
SCHEMBL15628865 0.83 CYP26B1 (0.36) ALDH1A1KDM4EGAAHSD17B10S1PR3

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9791450-B2 Fluorescent compounds BIOTIUM, INC. (US) 2017-10-17 US disclosed
EP-2223086-B2 FLUORESCENT COMPOUNDS - LABELING DYES BIOTIUM INC (US) 2016-06-01 EP disclosed
US-20160033520-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2016-02-04 US disclosed
US-20150330973-A1 Kits for analysis of biological samples ANASPEC INCORPORATED (US) 2015-11-19 US disclosed
US-20150259535-A1 Fluorescent dyes ANASPEC INC (US) 2015-09-17 US disclosed
US-9097667-B2 Fluorescent compounds BIOTIUM, INC. (US) 2015-08-04 US disclosed
US-8999690-B2 Kits for analysis of biological samples ANASPEC INCORPORATED (US) 2015-04-07 US disclosed
US-8921543-B2 Fluorescent dyes ANASPEC INCORPORATED (US) 2014-12-30 US disclosed
US-20130210113-A1 SMALL MOLECULE DYE CONJUGATES ANASPEC INCORPORATED (US) 2013-08-15 US disclosed
EP-2223086-B1 FLUORESCENT COMPOUNDS - LABELING DYES BIOTIUM INC (US) 2013-03-20 EP disclosed
US-20100022768-A1 Contain chemically reactive carbocyanine dyes that are intramolecularly crosslinked between the 1-position and 3'-position, their bioconjugates ANASPEC INC (US) 2010-01-28 US disclosed
US-20090305410-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. (US) 2009-12-10 US disclosed
US-20090258418-A1 Contain chemically reactive carbocyanine dyes that are intramolecularly crosslinked between the 1-position and 3'-position, their bioconjugates DIWU ZHENJUN 2009-10-15 US disclosed
US-20090258418-A1 Contain chemically reactive carbocyanine dyes that are intramolecularly crosslinked between the 1-position and 3'-position, their bioconjugates DIWU ZHENJUN 2009-10-15 US disclosed
US-20090215108-A1 biochemical conjugate with a dye; biological substance peptide, protein, nucleotide, nucleic acid, carbohydrate, lipid, membrane or cell; detecting optical response upon use of an illumination source; use as luminescent probes valuable reagents for the analysis and separation of molecules and cells DIWU ZHENJUN 2009-08-27 US disclosed
US-20090215108-A1 biochemical conjugate with a dye; biological substance peptide, protein, nucleotide, nucleic acid, carbohydrate, lipid, membrane or cell; detecting optical response upon use of an illumination source; use as luminescent probes valuable reagents for the analysis and separation of molecules and cells DIWU ZHENJUN 2009-08-27 US disclosed
US-20090156799-A1 Methods of making dyes DIWU ZHENJUN 2009-06-18 US disclosed
US-20090156799-A1 Methods of making dyes DIWU ZHENJUN 2009-06-18 US disclosed
US-7465810-B2 Chemically reactive carbocyanine dyes that are intramolecularly connected or crosslinked between the 1-position and 3'-position by a polyamino acid linker; reduction of the ground state aggregation caused by steric hindrance of the crosslinking results in more fluorescent on proteins and nucleic acids ANASPEC, INC. (US) 2008-12-16 US disclosed
US-7465810-B2 Chemically reactive carbocyanine dyes that are intramolecularly connected or crosslinked between the 1-position and 3'-position by a polyamino acid linker; reduction of the ground state aggregation caused by steric hindrance of the crosslinking results in more fluorescent on proteins and nucleic acids ANASPEC, INC. (US) 2008-12-16 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 (5 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-20090156799-A1 Methods of making dyes CBR3, CBR1, GLO1 ALDH1A1 75/4885PSEN1 4076/4885PSEN2 4763/4885
US-20130210113-A1 SMALL MOLECULE DYE CONJUGATES SLC7A5, LIG1, SLC43A1 ALDH1A1 91/4885PSEN1 4037/4885PSEN2 4719/4885
US-20090305410-A1 FLUORESCENT COMPOUNDS MKI67, CD68, CA5B ALDH1A1 62/4885PSEN1 798/4885PSEN2 1424/4885
US-20100022768-A1 Contain chemically reactive carbocyanine dyes that are intramolecularly crosslinked between the 1-position and 3'-position, their bioconjugates CBR3, RCN1, LIG1 ALDH1A1 308/4885PSEN1 3686/4885PSEN2 4676/4885
US-20090258418-A1 Contain chemically reactive carbocyanine dyes that are intramolecularly crosslinked between the 1-position and 3'-position, their bioconjugates CBR3, RCN1, LIG1 ALDH1A1 308/4885PSEN1 3686/4885PSEN2 4676/4885

“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.