SCHEMBL4970478

SCHEMBL4970478

NCCC(O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
EPHX2 P34913 1/20 0.44
HTR2A P28223 1/20 0.43
CASP3 P42574 2/20 0.42
TLR2 O60603 2/20 0.39

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
SCHEMBL17744918 0.92 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL1504724 0.89 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL163535 0.88 KMT2A (0.56) KMT2AFABP5FABP7CA1CA2
Hydrochloric Acid SCHEMBL31758313 0.85 KMT2A (0.53) KMT2AFABP5FABP7CA1CA2
SCHEMBL1901193 0.85 KMT2A (0.53) KMT2AFABP5FABP7CA1CA2
SCHEMBL8815101 0.85 KMT2A (0.45) KMT2AFABP5FABP7CA1CA2
SCHEMBL14947096 0.84 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
Hydrochloric Acid SCHEMBL6366019 0.84 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
Bromide SCHEMBL16269651 0.84 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
SCHEMBL1940665 0.84 KMT2A (0.52) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284655-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2021-09-16 US disclosed
US-10981931-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same CYCLENIUM PHARMA INC. (CA) 2021-04-20 US disclosed
US-20200190083-A1 LIBRARIES OF PYRIDINE-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2020-06-18 US disclosed
US-20200157116-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2020-05-21 US disclosed
EP-3642399-A1 LIBRARIES OF PYRIDINE-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Cyclenium Pharma Inc. (CA) 2020-04-29 EP disclosed
US-10407442-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same CYCLENIUM PHARMA INC. (CA) 2019-09-10 US disclosed
US-20190153620-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2019-05-23 US disclosed
EP-3458630-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Cyclenium Pharma Inc. (CA) 2019-03-27 EP disclosed
WO-2018232506-A1 LIBRARIES OF PYRIDINE-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2018-12-27 WO disclosed
US-20180265521-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2018-09-20 US disclosed
EP-3353341-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Cyclenium Pharma Inc. (CA) 2018-08-01 EP disclosed
WO-2017197488-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2017-11-23 WO disclosed
WO-2017049383-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2017-03-30 WO disclosed
EP-1934236-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GlycoMimetics, Inc. (US) 2008-06-25 EP disclosed
WO-2007028050-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2007-03-08 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 (7 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-20200157116-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME NCOA3, VDR, GRK3 KMT2A 3787/4885FABP5 871/4885FABP7 158/4885
US-20190153620-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME VDR, TRPM8, TRPM7 KMT2A 4512/4885FABP5 857/4885FABP7 108/4885
US-20210284655-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME NCOA3, VDR, GRK3 KMT2A 3787/4885FABP5 871/4885FABP7 158/4885
US-10981931-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same NCOA3, VDR, GRK3 KMT2A 3787/4885FABP5 871/4885FABP7 158/4885
US-20200190083-A1 LIBRARIES OF PYRIDINE-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME VDR, TRPM8, TRPM7 KMT2A 4027/4885FABP5 1410/4885FABP7 377/4885
US-20180265521-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME NCOA3, VDR, GRK3 KMT2A 3787/4885FABP5 871/4885FABP7 158/4885
US-10407442-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same NCOA3, VDR, GRK3 KMT2A 3787/4885FABP5 871/4885FABP7 158/4885

“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.