SCHEMBL1753769

SCHEMBL1753769

Cc1ccc(OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGER1 P34995 3/20 0.42
PTGER4 P35408 3/20 0.42
PTGER3 P43115 3/20 0.42
PTGER2 P43116 3/20 0.42
MAOB P27338 1/20 0.41
MRGPRX4 Q96LA9 4/20 0.40
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LRRK2 Q5S007 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LIPE Q05469 1/20 0.37

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
SCHEMBL25819319 0.89 DGAT1 (0.44) DGAT1MAPTMAPK1TDP1L3MBTL1
SCHEMBL27985925 0.87 PTGER1 (0.37) DGAT1MAPTMAPK1TDP1L3MBTL1
SCHEMBL30181478 0.86 UCHL1 (0.43) MAPTL3MBTL1MAOBMEN1KMT2A
SCHEMBL2113350 0.85 L3MBTL1 (0.45) DGAT1MAPTMAPK1TDP1L3MBTL1
SCHEMBL2104051 0.85 SLC6A4 (0.44) DGAT1PTGER1MRGPRX4MEN1KMT2A
SCHEMBL9946168 0.84 MAPT (0.49) DGAT1MAPTMAPK1TDP1L3MBTL1
SCHEMBL2110431 0.82 SLC6A4 (0.47) DGAT1PTGER1MRGPRX4FFAR4LRRK2
SCHEMBL12581730 0.80 MAPT (0.41) DGAT1MAPTMAPK1TDP1L3MBTL1
SCHEMBL24896640 0.80 DGAT1 (0.44) DGAT1MAPTMAPK1TDP1L3MBTL1
SCHEMBL31314671 0.80 DGAT1 (0.44) DGAT1MAPTMAPK1TDP1L3MBTL1

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-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 DGAT1 1797/4885MAPT 1655/4885MAPK1 2896/4885

“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.