SCHEMBL9999884

SCHEMBL9999884

CNCCCC(=O)NCCCCN1C(=O)C=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.47
PTGS2 P35354 7/20 0.47
MGLL Q99685 6/20 0.47
FAAH O00519 4/20 0.47
ALDH1A1 P00352 4/20 0.46
HTT P42858 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSP90AA1 P07900 1/20 0.46
TLR9 Q9NR96 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
GPR35 Q9HC97 1/20 0.46

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
SCHEMBL9999886 0.96 PTGS1 (0.54) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL22214462 0.91 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL21388417 0.90 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL20752853 0.90 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL20864145 0.88 PTGS1 (0.47) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13828057 0.88 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL20230564 0.88 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL19703875 0.85 PTGS1 (0.60) PTGS1PTGS2MGLLFAAHHPGD
SCHEMBL17740192 0.84 PTGS1 (0.63) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL17739810 0.84 PTGS1 (0.54) PTGS1PTGS2MGLLFAAHALDH1A1

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-20120164635-A1 LARGE STOKE SHIFT NIR DYES VANDERBILT UNIVERSITY 2012-06-28 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-20120164635-A1 LARGE STOKE SHIFT NIR DYES SLC7A5, SLC43A1, SPIN3 PTGS1 2958/4885PTGS2 3759/4885MGLL 4299/4885

“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.