SCHEMBL5736840

SCHEMBL5736840

[CH2]C(=O)OCCCCCCCCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.61
TSHR P16473 3/20 0.61
EPHX1 P07099 1/20 0.57
HCAR2 Q8TDS4 1/20 0.52
RAD52 P43351 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ACHE P22303 6/20 0.50
ALDH1A1 P00352 2/20 0.50
FAAH O00519 1/20 0.50
DGKA P23743 1/20 0.50
LMNA P02545 1/20 0.50
HTR2C P28335 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
SCHEMBL94649 1.00 NAAA (0.61) NAAATSHREPHX1HCAR2RAD52
SCHEMBL6165713 1.00 NAAA (0.61) NAAATSHREPHX1HCAR2RAD52
SCHEMBL3015647 1.00 NAAA (0.61) NAAATSHREPHX1HCAR2RAD52
SCHEMBL8893832 1.00 NAAA (0.61) NAAATSHREPHX1HCAR2RAD52
SCHEMBL8356788 1.00 NAAA (0.61) NAAATSHREPHX1HCAR2RAD52
SCHEMBL8915954 1.00 NAAA (0.61) NAAATSHREPHX1HCAR2RAD52
SCHEMBL5733798 1.00 NAAA (0.61) NAAATSHREPHX1HCAR2RAD52
SCHEMBL4653423 1.00 NAAA (0.61) NAAATSHREPHX1HCAR2RAD52
SCHEMBL3034401 1.00 NAAA (0.61) NAAATSHREPHX1HCAR2RAD52
SCHEMBL4363618 1.00 NAAA (0.61) NAAATSHREPHX1HCAR2RAD52

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129256-B2 Antiparkinsonism drugs SHIONOGI & CO., LTD. (JP) 2006-10-31 US disclosed
EP-0933379-B1 NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE SHIONOGI & CO (JP) 2006-03-22 EP disclosed
US-20030191120-A1 Antiparkinsonism drugs SHIONOGI & CO., LTD. (JP) 2003-10-09 US disclosed
EP-1321151-A1 ANTIPARKINSONISM DRUGS SHIONOGI & CO., LTD. (JP) 2003-06-25 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-20030191120-A1 Antiparkinsonism drugs PARK7, SNCA, NLN NAAA 1167/4885TSHR 779/4885EPHX1 3179/4885

“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.