SCHEMBL4889294

SCHEMBL4889294

CCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC)CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
NPSR1 Q6W5P4 2/20 0.49
RAD52 P43351 1/20 0.49
FAAH O00519 1/20 0.47
DGKA P23743 1/20 0.47
HTR2C P28335 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
EPHX1 P07099 1/20 0.44
ACHE P22303 5/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL4889296 0.94 NAAA (0.50) NAAANPSR1RAD52FAAHDGKA
SCHEMBL19632976 0.92 NAAA (0.49) NAAANPSR1RAD52FAAHDGKA
SCHEMBL19288051 0.92 NAAA (0.49) NAAANPSR1RAD52FAAHDGKA
SCHEMBL27560470 0.86 ATM (0.44) NAAANPSR1RAD52FAAHDGKA
SCHEMBL4886375 0.85 NAAA (0.45) NAAANPSR1RAD52FAAHDGKA
SCHEMBL4886378 0.85 NAAA (0.45) NAAANPSR1RAD52FAAHDGKA
SCHEMBL17891961 0.85 NAAA (0.64) NAAANPSR1RAD52FAAHDGKA
SCHEMBL872735 0.85 NAAA (0.64) NAAANPSR1RAD52FAAHDGKA
SCHEMBL3504225 0.85 NAAA (0.64) NAAANPSR1RAD52FAAHDGKA
SCHEMBL17891959 0.85 NAAA (0.64) NAAANPSR1RAD52FAAHDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311635-A1 PROCESS FOR THE PREPARATION OF (S)(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID DIPHARMA FRANCIS S.R.L. (IT) 2008-12-18 US disclosed
EP-1992609-A1 A process for the preparation of a (S)(+)-3-(aminomethyl)-5-methylhexanoic acid Dipharma Francis S.r.l. (IT) 2008-11-19 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-20080311635-A1 PROCESS FOR THE PREPARATION OF (S)(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID ADH5, ALDH7A1, ADH1C NAAA 906/4885NPSR1 1570/4885RAD52 3676/4885

“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.