SCHEMBL8042680

SCHEMBL8042680

CC(C)(C)OC(=O)N[C@H](CO)CCCCO

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSK P43235 9/20 0.41
CTSS P25774 2/20 0.40
ATM Q13315 1/20 0.39
CYP2D6 P10635 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL13040189 1.00 TDP1 (0.51) TDP1CA1CA2CA7MEN1
SCHEMBL2296899 0.95 TDP1 (0.49) TDP1CA1CA2CA7MEN1
SCHEMBL28323890 0.95 TDP1 (0.49) TDP1CA1CA2CA7MEN1
SCHEMBL2296898 0.95 TDP1 (0.49) TDP1CA1CA2CA7MEN1
SCHEMBL24177101 0.89 CTSK (0.50) CTSKCTSS
SCHEMBL7642781 0.88 CA1 (0.46) TDP1CA1CA2CA7MEN1
SCHEMBL2617386 0.88 CA1 (0.46) TDP1CA1CA2CA7MEN1
SCHEMBL7642786 0.88 CA1 (0.46) TDP1CA1CA2CA7MEN1
SCHEMBL4785473 0.87 CTSK (0.49) CTSKCTSS
SCHEMBL5487452 0.87 CTSK (0.49) CTSKCTSS

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-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-04 US disclosed
WO-2009081959-A1 PROCESS FOR PRODUCTION OF 4-(SUBSTITUTED PHENYL)HEXAHYDROPYRIDO[2,1-C][1,4]OXAZIN-6-ONE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-02 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-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE PSEN1, APP, BACE1 TDP1 1765/4885CA1 52/4885CA2 74/4885

“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.