SCHEMBL621683

SCHEMBL621683

COC(COc1cc2c(cc1Cl)C1(OC(=O)c3ccccc31)c1cc(Cl)c(OCC(OC)OC)cc1O2)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
MAPT P10636 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
FTO Q9C0B1 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
HTT P42858 2/20 0.46
PRMT1 Q99873 2/20 0.46
CYP2C19 P33261 2/20 0.46
RECQL P46063 2/20 0.46
BLM P54132 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
HPGD P15428 1/20 0.46
SMAD3 P84022 1/20 0.46
LMNA P02545 6/20 0.45
USP2 O75604 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 3/20 0.38
POLB P06746 3/20 0.38
GPR55 Q9Y2T6 2/20 0.38

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
SCHEMBL10205555 0.95 CYP3A4 (0.47) CYP3A4MAPTMEN1KMT2AFTO
SCHEMBL622470 0.87 CYP3A4 (0.51) CYP3A4MAPTMEN1KMT2AFTO
SCHEMBL6407023 0.84 MAPT (0.53) CYP3A4MAPTMEN1KMT2AFTO
SCHEMBL10205567 0.83 CYP3A4 (0.47) CYP3A4MAPTMEN1KMT2AFTO
SCHEMBL620637 0.81 CYP3A4 (0.51) CYP3A4MAPTMEN1KMT2AFTO
SCHEMBL10205338 0.81 MAPT (0.52) CYP3A4MAPTMEN1KMT2AFTO
SCHEMBL10145577 0.81 CYP3A4 (0.48) CYP3A4MAPTMEN1KMT2AFTO
SCHEMBL1024927 0.78 MAPT (0.66) CYP3A4MAPTMEN1KMT2AFTO
SCHEMBL29349570 0.78 MAPT (0.66) CYP3A4MAPTMEN1KMT2AFTO
SCHEMBL13388766 0.77 MAPT (0.62) CYP3A4MAPTMEN1KMT2AFTO

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 17 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-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-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-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-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-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-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
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-02-19 US disclosed
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-02-19 US 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

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 CYP3A4 900/4885MAPT 2586/4885MEN1 3638/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA CYP3A4 900/4885MAPT 2586/4885MEN1 3638/4885
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA CYP3A4 900/4885MAPT 2586/4885MEN1 3638/4885
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA CYP3A4 900/4885MAPT 2586/4885MEN1 3638/4885
US-20050227309-A1 Optically-detectable enzyme substrates and their method of use MGAM, LCT, GAA CYP3A4 900/4885MAPT 2586/4885MEN1 3638/4885

“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.