SCHEMBL13996136

SCHEMBL13996136

CNC(=O)CCCc1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.57
FAAH O00519 5/20 0.57
DDAH1 O94760 1/20 0.42
HSP90AA1 P07900 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC1 Q13547 2/20 0.42
AR P10275 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL13512632 0.89 MGLL (0.55) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL44044 0.85 MGLL (0.54) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL17235982 0.85 MGLL (0.51) MGLLFAAHHPGDPKM
Hydrochloric Acid SCHEMBL44524 0.84 MGLL (0.52) MGLLFAAHDDAH1HSP90AA1NPSR1
Hydrochloric Acid SCHEMBL443354 0.84 MGLL (0.52) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL12683541 0.83 MGLL (0.62) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL16508391 0.82 MGLL (0.50) MGLLFAAHALDH1A1PKM
SCHEMBL514697 0.81 MGLL (0.59) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL741572 0.81 MGLL (0.59) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL28390770 0.81 MGLL (0.56) MGLLFAAHDDAH1HSP90AA1NPSR1

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-20080305038-A1 Transport of Nano-and Macromolecular Structures Into Cytoplasm and Nucleus of Cells LUDWIG-MAXIMILIANS-UNIVERSITÄT (DE) 2008-12-11 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-20080305038-A1 Transport of Nano-and Macromolecular Structures Into Cytoplasm and Nucleus of Cells NFATC1, KPNA4, KPNA1 MGLL 4765/4885FAAH 4796/4885DDAH1 1723/4885

“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.