SCHEMBL622479

SCHEMBL622479

CCCCc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
BLM P54132 1/20 0.54
SMAD3 P84022 1/20 0.54
PRMT1 Q99873 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 3/20 0.52
ALOX12 P18054 2/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
BRCA1 P38398 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP3A4 P08684 1/20 0.41

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
SCHEMBL989819 0.96 FTO (0.52) FTOMAPTHPGDMEN1HTT
SCHEMBL6738373 0.96 FTO (0.52) FTOMAPTHPGDMEN1HTT
SCHEMBL2314510 0.89 FTO (0.60) FTOMAPTHPGDMEN1HTT
SCHEMBL16116120 0.89 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL4824384 0.89 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL19206099 0.88 FTO (0.50) FTOMAPTHPGDMEN1HTT
SCHEMBL9192235 0.86 FTO (0.49) FTOMAPTHPGDMEN1HTT
SCHEMBL7647553 0.86 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL4825622 0.86 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL2186619 0.86 CYP3A4 (0.40) FTOMAPTHPGDMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 US disclosed
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use LIFE TECHNOLOGIES CORP (US) 2016-05-19 US disclosed
US-8865891-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2014-10-21 US disclosed
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2013-04-11 US disclosed
US-8318450-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2012-11-27 US disclosed
US-20120040380-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-02-16 US disclosed
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-02-19 US disclosed
EP-1711504-A2 DERIVATIVES OF CEPHALOSPORIN AND CLAVULANIC ACID FOR DETECTING BETA-LACTAMASE IN A SAMPLE Molecular Probes Inc. (US) 2006-10-18 EP disclosed
WO-2005071096-A9 DERIVATIVES OF CEPHALOSPORIN AND CLAVULANIC ACID FOR DETECTING BETA-LACAMASE IN A SAMPLE 2006-02-02 WO disclosed
US-20050227309-A1 Optically-detectable enzyme substrates and their method of use MOLECULAR PROBES, INC. 2005-10-13 US disclosed
WO-2005071096-A2 DERIVATIVES OF CEPHALOSPORIN AND CLAVULANIC ACID FOR DETECTING BETA-LACAMASE IN A SAMPLE MOLECULAR PROBES, INC. (US) 2005-08-04 WO 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 (5 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-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA FTO 460/4885MAPT 2586/4885HPGD 650/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA FTO 460/4885MAPT 2586/4885HPGD 650/4885
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA FTO 460/4885MAPT 2586/4885HPGD 650/4885
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA FTO 460/4885MAPT 2586/4885HPGD 650/4885
US-20050227309-A1 Optically-detectable enzyme substrates and their method of use MGAM, LCT, GAA FTO 460/4885MAPT 2586/4885HPGD 650/4885

“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.