SCHEMBL13201646

SCHEMBL13201646

CCOC(=O)/C=C\c1cc2ccc(N(CC)CC)cc2oc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.64
MAPT P10636 8/20 0.63
MEN1 O00255 8/20 0.63
KMT2A Q03164 8/20 0.63
ALDH1A1 P00352 7/20 0.63
KDM4E B2RXH2 7/20 0.63
HPGD P15428 4/20 0.63
NPSR1 Q6W5P4 2/20 0.63
ATM Q13315 4/20 0.56
HSD17B10 Q99714 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
USP2 O75604 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
SLC16A3 O15427 1/20 0.56
ALOX15 P16050 1/20 0.56
SLC16A1 P53985 1/20 0.56
CYP19A1 P11511 4/20 0.55
LMNA P02545 2/20 0.51
CASP1 P29466 2/20 0.51

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
SCHEMBL61605 1.00 MAOB (0.64) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL13201653 0.93 MAOB (0.55) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL62106 0.93 MAOB (0.55) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL29169442 0.90 MEN1 (0.65) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL29169476 0.86 MEN1 (0.69) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL28386211 0.86 MEN1 (0.69) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL29169445 0.86 MEN1 (0.69) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL30782952 0.86 MEN1 (0.69) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL17026676 0.85 MIF (0.62) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL26987435 0.85 MIF (0.62) MAOBMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772047-B2 Dyes having ratiometric fluorescence response for detecting metabolites BECTON, DICKINSON AND COMPANY (US) 2014-07-08 US disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed
US-20080311675-A1 DYES HAVING RATIOMETRIC FLUORESCENCE RESPONSE FOR DETECTING METABOLITES BECTON, DICKINSON AND COMPANY (US) 2008-12-18 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-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MAOB 4281/4885MAPT 2743/4885MEN1 4815/4885
US-20080311675-A1 DYES HAVING RATIOMETRIC FLUORESCENCE RESPONSE FOR DETECTING METABOLITES FABP1, FABP5, FABP7 MAOB 1874/4885MAPT 2137/4885MEN1 4266/4885

“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.