SCHEMBL61629

SCHEMBL61629

CCN(CCO)c1ccc2cc(C=O)c(=O)oc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.81
KMT2A Q03164 11/20 0.81
MAPT P10636 10/20 0.81
KDM4E B2RXH2 9/20 0.81
ALDH1A1 P00352 8/20 0.81
HPGD P15428 5/20 0.81
NPSR1 Q6W5P4 3/20 0.81
CYP19A1 P11511 3/20 0.56
ATM Q13315 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
USP2 O75604 4/20 0.54
MAOB P27338 3/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
SLC16A3 O15427 1/20 0.54
ALOX15 P16050 1/20 0.54
SLC16A1 P53985 1/20 0.54
LMNA P02545 5/20 0.49
TP53 P04637 2/20 0.49

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
SCHEMBL11583563 0.92 MEN1 (0.71) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL61603 0.90 MEN1 (1.00) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL30195208 0.90 MEN1 (1.00) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL23782005 0.89 MEN1 (0.97) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11627303 0.85 KMT2A (0.72) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11583737 0.85 MEN1 (0.80) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1943038 0.84 MEN1 (0.71) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1942640 0.83 MEN1 (0.69) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3918990 0.83 MEN1 (0.69) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3919002 0.83 MEN1 (0.69) MEN1KMT2AMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MEN1 4815/4885KMT2A 3702/4885MAPT 2743/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MEN1 4815/4885KMT2A 3702/4885MAPT 2743/4885

“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.