SCHEMBL8524743

SCHEMBL8524743

NCCCCCC(=O)NCCOCCOCCCCCCCl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
GAA P10253 1/20 0.43
SLC6A5 Q9Y345 2/20 0.43
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
TLR2 O60603 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 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
SCHEMBL12474155 1.00 FAAH (0.46) FAAHGAASLC6A5CNR1CNR2
SCHEMBL31251083 0.97 FAAH (0.46) FAAHGAASLC6A5CNR1CNR2
SCHEMBL21549536 0.88 FAAH (0.40) FAAHGAACNR1CNR2TLR2
SCHEMBL16094632 0.88 FAAH (0.40) FAAHGAACNR1CNR2TLR2
SCHEMBL17039698 0.87 SLC6A5 (0.51) FAAHGAASLC6A5CA12CA1
SCHEMBL9901520 0.86 FAAH (0.44) FAAHGAACNR1CNR2CA12
SCHEMBL12125335 0.85 SLC6A5 (0.59) FAAHSLC6A5CNR1CNR2TLR2
SCHEMBL18772401 0.85 FAAH (0.67) FAAHCNR1CNR2HPGDEPHX2
SCHEMBL22207993 0.84 CA2 (0.45) FAAHGAATLR2CA12CA1
SCHEMBL9901593 0.84 FAAH (0.49) FAAHGAACNR1CNR2TSHR

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-20120252048-A1 COMPOSITIONS COMPRISING A DEHALOGENASE SUBSTRATE AND A CONTRAST AGENT AND METHODS OF USE PROMEGA CORPORATION (US) 2012-10-04 US disclosed
EP-2455457-A2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2012-05-23 EP disclosed
EP-2369006-A1 Covalent tethering of functional groups to proteins Promega Corporation (US) 2011-09-28 EP 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-20120252048-A1 COMPOSITIONS COMPRISING A DEHALOGENASE SUBSTRATE AND A CONTRAST AGENT AND METHODS OF USE HDHD5, IDUA, DDAH1 FAAH 65/4885GAA 185/4885SLC6A5 1282/4885

“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.