SCHEMBL19851612

SCHEMBL19851612

CC(C)CCOCC(C)CC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
CA1 P00915 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
EPHX2 P34913 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL22508614 0.79 TDP1 (0.34) HTTGAATDP1ALDH1A1KDM4E
SCHEMBL1829178 0.77
SCHEMBL19368040 0.74 SLC1A3 (0.38) HTTGAATDP1ALDH1A1CA1
SCHEMBL7071560 0.74 SLC1A3 (0.38) HTTGAATDP1ALDH1A1CA1
SCHEMBL11957976 0.74 TDP1 (0.41) HTTGAATDP1ALDH1A1KDM4E
SCHEMBL24965271 0.72 TDP1 (0.37) HTTGAATDP1ALDH1A1KDM4E
SCHEMBL4375767 0.71 BLM (0.52) HTTGAATDP1ALDH1A1CA1
SCHEMBL3122161 0.71 ALDH1A1 (0.34) TDP1ALDH1A1HSD17B10CA1CA12
SCHEMBL3392036 0.71 ALDH1A1 (0.38) TDP1ALDH1A1KDM4EHSD17B10CA2
SCHEMBL18949224 0.71 PRKCA (0.41) TDP1ALDH1A1CA2

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-10947214-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-20210002256-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-01-07 US disclosed
US-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-08 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 (3 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-20210002256-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 HTT 4609/4885GAA 1085/4885TDP1 924/4885
US-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 HTT 4630/4885GAA 887/4885TDP1 1146/4885
US-10947214-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 HTT 4630/4885GAA 887/4885TDP1 1146/4885

“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.