SCHEMBL5031702

SCHEMBL5031702

CN(CCN)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
EPHX2 P34913 1/20 0.42
HTR2A P28223 1/20 0.41
CASP3 P42574 1/20 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
Succinic Acid SCHEMBL27739367 0.94 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL15160787 0.90 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2
SCHEMBL29647898 0.87 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2
SCHEMBL13068845 0.87 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2
SCHEMBL12665926 0.87 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2
SCHEMBL29776411 0.86 KMT2A (0.45) KMT2AFABP5FABP7CA1CA2
SCHEMBL7853751 0.85 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL14656652 0.85 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2
SCHEMBL29989813 0.85 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL13359306 0.84 BCHE (0.48) KMT2AFABP5FABP7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984726-B1 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION DH TECHNOLOGIES DEV PTE LTD (SG) 2015-06-17 EP disclosed
US-8975404-B2 Labeling reagents for analyte determination and methods and compounds used in making the same DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2015-03-10 US disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 US disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 US disclosed
CN-101421609-A The method relevant, potpourri, kit and composition with analyte determination APPLERA CORP (US) 2009-04-29 CN disclosed
EP-1984726-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION Applera Corporation (US) 2008-10-29 EP disclosed
US-20070218560-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination APPLERA CORPORATION. (US) 2007-09-20 US disclosed
WO-2007087534-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION APPLERA CORPORATION (US) 2007-08-02 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 (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-20120142718-A1 N-17-Alkylated Prodrugs of Opioids OPRM1, OPRD1, OPRL1 KMT2A 827/4885FABP5 3922/4885FABP7 1868/4885
US-20070218560-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination SRMS, CA13, KLK3 KMT2A 2584/4885FABP5 441/4885FABP7 630/4885

“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.