SCHEMBL464366

SCHEMBL464366

O=C[C@@H]1C[C@@H](OCCCCc2ccccc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.40
OPRD1 P41143 1/20 0.39
KMT2A Q03164 1/20 0.36
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
FKBP1A P62942 3/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL464339 0.88 AGTR2 (0.51) AGTR2OPRD1FABP7FABP5FKBP1A
SCHEMBL7845989 0.88 AGTR2 (0.51) AGTR2OPRD1FABP7FABP5FKBP1A
SCHEMBL31210291 0.74 AGTR2 (0.48) AGTR2KMT2AFABP7FABP5
SCHEMBL5963754 0.74 AGTR2 (0.48) AGTR2KMT2AFABP7FABP5
SCHEMBL21553619 0.74 AGTR2 (0.48) AGTR2KMT2AFABP7FABP5
SCHEMBL16095440 0.74 AGTR2 (0.48) AGTR2KMT2AFABP7FABP5
SCHEMBL21874030 0.74 AGTR2 (0.48) AGTR2KMT2AFABP7FABP5
SCHEMBL24633952 0.73 AGTR2 (0.41) AGTR2KMT2AFABP7FABP5
SCHEMBL31000495 0.73 KMT2A (0.41) AGTR2KMT2AFABP7FABP5
SCHEMBL30064422 0.73 AGTR2 (0.41) AGTR2KMT2AFABP7FABP5

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-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2012-03-15 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-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK2, PLK4 AGTR2 4642/4885OPRD1 4101/4885KMT2A 2980/4885

“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.