SCHEMBL4454499

SCHEMBL4454499

CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.71
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
MAPT P10636 2/20 0.50
HSD17B3 P37058 1/20 0.49
RELA Q04206 1/20 0.48
PTGS1 P23219 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL4454503 1.00 APP (0.71) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL4448156 0.98 APP (0.68) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL4448158 0.98 APP (0.68) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL75060 0.91 APP (0.62) APPMAPTHSD17B3RELAPTGS1
SCHEMBL75061 0.91 APP (0.62) APPMAPTHSD17B3RELAPTGS1
SCHEMBL2831927 0.84 APP (1.00) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL12446433 0.84 TLR9 (0.58) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL1821464 0.84 TLR9 (0.58) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL9369 0.82 ALDH1A1 (0.58) MAPTALOX15HBB
SCHEMBL9017237 0.82 APP (0.95) APPHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635595-B2 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R 2009-12-22 US disclosed
US-7635595-B2 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R 2009-12-22 US disclosed
US-7635595-B2 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R 2009-12-22 US disclosed
US-20050158245-A1 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R (US) 2005-07-21 US disclosed
US-20040087842-A1 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R (US) 2004-05-06 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 (2 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-20050158245-A1 Fluorescent probes for saccharrides H1-3, H1-0, H1-2 APP 4847/4885HDAC3 110/4885HDAC4 271/4885
US-20040087842-A1 Fluorescent probes for saccharrides ST6GAL1, SLC5A1, CA6 APP 4844/4885HDAC3 771/4885HDAC4 826/4885

“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.