SCHEMBL16429396

SCHEMBL16429396

CCCCOC(=O)CC(C)OC(=O)CC(C)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DGKA P23743 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RAD52 P43351 1/20 0.37
LMNA P02545 2/20 0.36
FAAH O00519 3/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL15927988 0.89 ALDH1A1 (0.50) NAAAALDH1A1MAPTATMNPSR1
SCHEMBL1455543 0.89 ALDH1A1 (0.50) NAAAALDH1A1MAPTATMNPSR1
SCHEMBL13147735 0.89 ALDH1A1 (0.50) NAAAALDH1A1MAPTATMNPSR1
Undecane SCHEMBL20583171 0.86 NAAA (0.57) NAAAALDH1A1MAPTATMNPSR1
SCHEMBL17078359 0.85 LMNA (0.44) NAAAALDH1A1MAPTATMNPSR1
SCHEMBL5907623 0.84 NAAA (0.59) NAAAALDH1A1MAPTNPSR1MAPK1
SCHEMBL28676181 0.84 NAAA (0.59) NAAAALDH1A1MAPTNPSR1MAPK1
SCHEMBL4567206 0.83 CYP19A1 (0.34)
SCHEMBL22259694 0.82 MGAM (0.41) ALDH1A1MAPTTSHRLMNA
SCHEMBL5907696 0.82 NAAA (0.62) NAAAMAPTNPSR1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255059-B2 Method for producing an alkyl 3-hydroxybutyrate EASTMAN CHEMICAL COMPANY (US) 2016-02-09 US disclosed
WO-2015017177-A1 METHOD FOR PRODUCING AN ALKYL 3-HYDROXYBUTYRATE EASTMAN CHEMICAL COMPANY (US) 2015-02-05 WO disclosed
US-20150038734-A1 METHOD FOR PRODUCING AN ALKYL 3-HYDROXYBUTYRATE EASTMAN CHEMICAL COMPANY (US) 2015-02-05 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-20150038734-A1 METHOD FOR PRODUCING AN ALKYL 3-HYDROXYBUTYRATE HSD17B10, ABAT, HSD17B12 NAAA 158/4885ALDH1A1 159/4885MAPT 2112/4885

“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.