SCHEMBL4576408

SCHEMBL4576408

CC(C)NNC(=O)C1CCSCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
HPGD P15428 2/20 0.33
P2RX7 Q99572 1/20 0.33
LMNA P02545 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
SCHEMBL4576564 0.83 HDAC8 (0.52) GAAPOLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19090946 0.80 GAA (0.39) GAAPOLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4576146 0.78 SMN1; SMN2 (0.39) GAAPOLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL22618695 0.74 SMN1; SMN2 (0.36) GAAPOLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL30606193 0.74 CHRNB2 (0.42) POLBALDH1A1SMN1; SMN2HSD17B10KMT2A
SCHEMBL14277709 0.70 HDAC8 (0.34) POLBKMT2AHDAC8HDAC6
SCHEMBL2568375 0.70 HDAC8 (0.34) POLBKMT2AHDAC8HDAC6HTT
SCHEMBL20682279 0.70 ALOX5 (0.30)
SCHEMBL3158638 0.66
SCHEMBL28711 0.66 TP53 (0.47) GAAPOLBALDH1A1SMN1; SMN2

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-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-20060178532-A1 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. 2006-08-10 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-20060178532-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT GAA 208/4885POLB 3699/4885ALDH1A1 532/4885

“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.