SCHEMBL5323738

SCHEMBL5323738

CC/C=C/CC(=O)NCCCC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.49
CASP2 P42575 1/20 0.47
EPHX1 P07099 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NAAA Q02083 1/20 0.44
EPHX2 P34913 2/20 0.42
ACHE P22303 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL5323744 1.00 CNR1 (0.49) CNR1CASP2EPHX1MEN1KMT2A
SCHEMBL15131732 0.90 MEN1 (0.52) CNR1CASP2EPHX1MEN1KMT2A
SCHEMBL28340443 0.85 CNR1 (0.68) CNR1MEN1KMT2AEPHX2
SCHEMBL5327032 0.84 CNR1 (0.53) CNR1CASP2EPHX1MEN1KMT2A
SCHEMBL5327026 0.84 CNR1 (0.53) CNR1CASP2EPHX1MEN1KMT2A
SCHEMBL15257769 0.83 NAAA (0.49) CNR1CASP2MEN1KMT2ANAAA
SCHEMBL19661057 0.83 MEN1 (0.45) CNR1CASP2EPHX1MEN1KMT2A
SCHEMBL15131734 0.82 SLC6A5 (0.55) CNR1CASP2MEN1KMT2ANAAA
SCHEMBL13562877 0.82 CNR1 (0.61) CNR1MEN1KMT2A
SCHEMBL13562881 0.80 CNR1 (0.42) CNR1MEN1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486428-B2 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-16 US disclosed
WO-2007126775-A2 COMPOSITIONS AND METHODS FOR MAKING AND USING ACYCLIC N-HALAMINE-BASED BIOCIDAL POLYMERIC MATERIALS AND ARTICLES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-08 WO disclosed
US-20070224161-A1 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-09-27 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-20070224161-A1 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles NAAA, NIT2, AADAC CNR1 1301/4885CASP2 962/4885EPHX1 947/4885

“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.