SCHEMBL4897401

SCHEMBL4897401

COCC(C)(C)OC(=O)c1c(N)nc(OC)n1-c1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
FYN P06241 1/20 0.42
EPHB4 P54760 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RIPK2 O43353 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL3289003 0.89 MAPK1 (0.40) MAPTHSD17B10ALDH1A1HPGDALOX15
SCHEMBL3441886 0.74 ALDH1A1 (0.37) MAPTHSD17B10ALDH1A1HPGDALOX15
SCHEMBL3286170 0.74 ALDH1A1 (0.37) MAPTHSD17B10ALDH1A1HPGDALOX15
SCHEMBL15005212 0.61 ALDH1A1 (0.68) MAPTHSD17B10ALDH1A1HPGDALOX15
SCHEMBL7072079 0.61 G6PD (0.42) HSD17B10ALDH1A1HPGDALOX15MAPK1
SCHEMBL9928673 0.60 TSHR (0.52) MAPTHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL27981447 0.60 NOTUM (0.58) MAPTHSD17B10ALDH1A1HPGDALOX15
SCHEMBL17103114 0.59 EPHB4 (1.00) MAPTHSD17B10ALDH1A1HPGDFYN
SCHEMBL30521704 0.59 EPHB4 (1.00) MAPTHSD17B10ALDH1A1HPGDFYN
SCHEMBL4958802 0.59 ALDH1A1 (0.57) MAPTHSD17B10ALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 MAPT 1814/4885HSD17B10 3548/4885ALDH1A1 2271/4885

“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.