SCHEMBL13201653

SCHEMBL13201653

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 7/20 0.55
MAPT P10636 6/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
HPGD P15428 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ATM Q13315 5/20 0.48
HSD17B10 Q99714 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC16A3 O15427 1/20 0.48
ALOX15 P16050 1/20 0.48
SLC16A1 P53985 1/20 0.48
CYP19A1 P11511 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
GLA P06280 3/20 0.45

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
SCHEMBL62106 1.00 MAOB (0.55) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL61605 0.93 MAOB (0.64) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL13201646 0.93 MAOB (0.64) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL29169442 0.83 MEN1 (0.65) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL61629 0.82 MEN1 (0.81) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL17026676 0.81 MIF (0.62) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL26987435 0.81 MIF (0.62) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL13232723 0.80 MAOB (0.85) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL30782952 0.80 MEN1 (0.69) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL29169445 0.80 MEN1 (0.69) MAOBALDH1A1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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 4281/4885ALDH1A1 1435/4885KDM4E 3540/4885

“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.