SCHEMBL13617024

SCHEMBL13617024

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccc(OC(=O)CC)c(OC(=O)CC)c1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.63
SLC6A5 Q9Y345 3/20 0.56
ALDH1A1 P00352 1/20 0.56
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
ALOX15 P16050 2/20 0.52
EPHX2 P34913 3/20 0.51
TRPV1 Q8NER1 2/20 0.48
CNR1 P21554 1/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL13630689 0.94 ALDH1A1 (0.61) FAAHSLC6A5ALDH1A1ITGB3ITGA2B
SCHEMBL20414922 0.82 FAAH (0.69) FAAHSLC6A5ALDH1A1ITGB3ITGA2B
SCHEMBL424500 0.82 FAAH (0.76) FAAHSLC6A5ALDH1A1ITGB3ITGA2B
SCHEMBL13963521 0.82 ITGB3 (0.68) FAAHALDH1A1ITGB3ITGA2B
SCHEMBL9954851 0.82 FAAH (0.76) FAAHSLC6A5ALDH1A1ITGB3ITGA2B
SCHEMBL424501 0.82 FAAH (0.76) FAAHSLC6A5ALDH1A1ITGB3ITGA2B
SCHEMBL15649626 0.82 FAAH (0.76) FAAHSLC6A5ALDH1A1ITGB3ITGA2B
SCHEMBL31026947 0.82 FAAH (0.76) FAAHSLC6A5ALDH1A1ITGB3ITGA2B
SCHEMBL424499 0.82 FAAH (0.76) FAAHSLC6A5ALDH1A1ITGB3ITGA2B
SCHEMBL22494098 0.82 FAAH (0.91) FAAHSLC6A5ITGB3ITGA2BEPHX2

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-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE ELLNEUROXX LTD. (DE) 2009-11-19 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-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE HTT, NLN, SNCA FAAH 4423/4885SLC6A5 859/4885ALDH1A1 4155/4885

“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.