SCHEMBL13630689

SCHEMBL13630689

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
ALOX15 P16050 3/20 0.58
ITGB3 P05106 4/20 0.58
ITGA2B P08514 4/20 0.58
FAAH O00519 2/20 0.55
TRPV1 Q8NER1 1/20 0.52
NOD1 Q9Y239 1/20 0.48
EPHX2 P34913 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
PTPN1 P18031 1/20 0.45

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
SCHEMBL13617024 0.94 FAAH (0.63) ALDH1A1ALOX15ITGB3ITGA2BFAAH
SCHEMBL13963521 0.87 ITGB3 (0.68) ALDH1A1ITGB3ITGA2BFAAHNOD1
SCHEMBL13630692 0.83 ALOX15 (0.62) ALDH1A1ALOX15ITGB3ITGA2B
SCHEMBL1215264 0.82 ALOX15 (0.58) ALDH1A1ALOX15ITGB3ITGA2BFAAH
SCHEMBL1214323 0.80 ALOX15 (0.56) ALDH1A1ALOX15ITGB3ITGA2BFAAH
SCHEMBL24090396 0.80 TRPV1 (0.62) ALDH1A1ALOX15ITGB3ITGA2BFAAH
SCHEMBL8257309 0.80 TRPV1 (0.62) ALDH1A1ALOX15ITGB3ITGA2BFAAH
SCHEMBL3452191 0.79 FAAH (0.67) ALDH1A1ITGB3ITGA2BFAAHNOD1
SCHEMBL4581440 0.79 FAAH (0.67) ALDH1A1ITGB3ITGA2BFAAHNOD1
SCHEMBL4582828 0.79 FAAH (0.67) ALDH1A1ITGB3ITGA2BFAAHNOD1

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 ALDH1A1 4155/4885ALOX15 392/4885ITGB3 3691/4885

“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.