SCHEMBL61553

SCHEMBL61553

CCN(CCO)c1ccc(C=O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.50
MAPT P10636 13/20 0.50
KDM4E B2RXH2 7/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
GAA P10253 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 3/20 0.48
HPGD P15428 2/20 0.47
BLM P54132 1/20 0.47
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 2/20 0.45
ALOX12 P18054 1/20 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
SCHEMBL29397257 0.89 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL56902 0.89 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EKMT2AMEN1
Charcoal, Activated SCHEMBL31112505 0.87 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EKMT2AMEN1
Ammonia Solution, Strong SCHEMBL28913421 0.87 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL2945669 0.85 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EKMT2AMEN1
Hydrazine SCHEMBL28805662 0.84 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL20861924 0.84 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11735836 0.83 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL9189739 0.83 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL30665426 0.83 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1

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 20 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
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-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 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-0565074-B1 Process for the preparation of binary sensitizing dyes EASTMAN KODAK CO (US) 1999-08-25 EP disclosed
US-5756740-A Process for the preparation of binary sensitizing dyes EASTMAN KODAK COMPANY (US) 1998-05-26 US disclosed
EP-0428939-B1 Cumarin derivatives, process for their preparation, their use and thiazolylacetic acid derivatives as intermediate BAYER AG (DE) 1996-01-17 EP disclosed
US-5300656-A Immunoassay BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
EP-0565074-A2 Process for the preparation of binary sensitizing dyes EASTMAN KODAK COMPANY (US) 1993-10-13 EP disclosed
EP-0428939-A2 Cumarin derivatives, process for their preparation, their use and thiazolylacetic acid derivatives as intermediate BAYER AG (DE) 1991-05-29 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 (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-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885MAPT 2743/4885KDM4E 3540/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885MAPT 2743/4885KDM4E 3540/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885MAPT 2743/4885KDM4E 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.