SCHEMBL61548

SCHEMBL61548

CCOC(=O)/C=C\CC(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
MAPT P10636 2/20 0.53
ALDH1A1 P00352 3/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP3A4 P08684 1/20 0.44
TRPA1 O75762 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL4091546 1.00 HCAR2 (0.54) HCAR2MAPTALDH1A1MGAMGAA
SCHEMBL13990116 1.00 HCAR2 (0.54) HCAR2MAPTALDH1A1MGAMGAA
SCHEMBL27761598 0.88 GAA (0.48) HCAR2MAPTALDH1A1MGAMGAA
SCHEMBL13405605 0.88 MAPT (0.50) HCAR2MAPTALDH1A1MGAMGAA
SCHEMBL6708068 0.84 GAA (0.57) HCAR2MAPTALDH1A1MGAMGAA
SCHEMBL6647774 0.84 GAA (0.57) HCAR2MAPTALDH1A1MGAMGAA
SCHEMBL12861650 0.83 MAPT (0.46) HCAR2MAPTALDH1A1MGAMGAA
SCHEMBL8093037 0.83 GAA (0.39) HCAR2MAPTALDH1A1MGAMGAA
SCHEMBL8925907 0.83 HCAR2 (0.54) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL10689168 0.83 GAA (0.46) HCAR2MAPTALDH1A1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815957-B2 Surfactant NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-08-26 US disclosed
US-8772047-B2 Dyes having ratiometric fluorescence response for detecting metabolites BECTON, DICKINSON AND COMPANY (US) 2014-07-08 US disclosed
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
EP-2223971-A1 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2010-09-01 EP disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed
EP-2036953-A2 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2009-03-18 EP disclosed
US-20080311675-A1 DYES HAVING RATIOMETRIC FLUORESCENCE RESPONSE FOR DETECTING METABOLITES BECTON, DICKINSON AND COMPANY (US) 2008-12-18 US disclosed
WO-2008147805-A2 DYES HAVING RATIOMETRIC FLUORESCENCE RESPONSE FOR DETECTING METABOLITES BECTON, DICKINSON AND COMPANY (US) 2008-12-04 WO disclosed
US-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 US disclosed
US-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 US disclosed
US-7211595-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2007-05-01 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-20080311675-A1 DYES HAVING RATIOMETRIC FLUORESCENCE RESPONSE FOR DETECTING METABOLITES FABP1, FABP5, FABP7 HCAR2 57/4885MAPT 2137/4885ALDH1A1 162/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 HCAR2 2244/4885MAPT 2743/4885ALDH1A1 1435/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 HCAR2 2244/4885MAPT 2743/4885ALDH1A1 1435/4885

“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.