SCHEMBL19602147

SCHEMBL19602147

CCNCC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
EPHX2 P34913 1/20 0.47
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
CYP1A2 P05177 1/20 0.44
CASP3 P42574 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 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
SCHEMBL28164980 0.91 KMT2A (0.45) KMT2AEPHX2FABP5FABP7CYP1A2
SCHEMBL7362002 0.85 KMT2A (0.52) KMT2AEPHX2FABP5FABP7CASP3
Hydrochloric Acid SCHEMBL7357624 0.84 KMT2A (0.51) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL15132492 0.83 KMT2A (0.54) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL4839280 0.83 KMT2A (0.52) KMT2AEPHX2FABP5FABP7CYP1A2
SCHEMBL21661027 0.82 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL16094918 0.81 KMT2A (0.46) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL30781736 0.80 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CYP1A2
SCHEMBL47693 0.80 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CYP1A2
SCHEMBL29779340 0.80 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2017-11-16 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 (1 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-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PSMA7, PSMA4, IL4 KMT2A 3191/4885EPHX2 2947/4885FABP5 1926/4885

“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.