SCHEMBL4888992

SCHEMBL4888992

CCCOC(=O)CC(CC(=O)OCCC)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.38
CACNB3 P54284 1/20 0.38
CACNA1C Q13936 1/20 0.38
PGR P06401 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PRKCA P17252 3/20 0.34
PRKCE Q02156 2/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4888997 0.93 CACNA2D1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
Hydrochloric Acid SCHEMBL30512140 0.88 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4889294 0.85 NAAA (0.56) HCAR2NAAADGKAMAPTMAPK1
SCHEMBL4885745 0.84 CYP2D6 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4885742 0.84 CYP2D6 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL234997 0.83 MGAM (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL133737 0.83 MMP1 (0.42) HCAR2NAAADGKAALDH1A1PRKCA
SCHEMBL28225233 0.82 HCAR2 (0.37) HCAR2NAAADGKAALDH1A1MAPT
SCHEMBL27560470 0.82 ATM (0.44) HCAR2NAAADGKAALDH1A1MAPT
SCHEMBL27873998 0.81 ATM (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A

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 CACNA2D1 360/4885CACNB3 575/4885CACNA1C 351/4885

“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.