SCHEMBL6500718

SCHEMBL6500718

CC(C)(C)OC(=O)N1CCCCC1N1CCOC1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE8B O95263 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 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
SCHEMBL30165850 0.78 HSD17B10 (0.39) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL30165822 0.78 HSD17B10 (0.39) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL27918465 0.77 ROCK2 (0.40) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL31411007 0.76 USP2 (0.50) ATMALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3061518 0.75 GPR119 (0.39) ATMUSP2SMN1; SMN2
SCHEMBL2397802 0.75 RECQL (0.50) HPGDUSP2SMN1; SMN2
SCHEMBL9047694 0.74 PREP (0.50) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL21783062 0.73 USP30 (0.52) HPGDUSP2SMN1; SMN2
SCHEMBL1202111 0.73 HPGD (0.49) ALDH1A1HSD17B10HPGDNPC1SMN1; SMN2
SCHEMBL7002987 0.73 HPGD (0.49) ALDH1A1HSD17B10HPGDNPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 ATM 4854/4885ALDH1A1 1071/4885HSD17B10 1726/4885

“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.