SCHEMBL1563329

SCHEMBL1563329

Nc1ccc(N)c(COC(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(F)(F)F)cc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC1 Q13547 2/20 0.38
CYP2D6 P10635 1/20 0.38
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 2/20 0.37
KMT2A Q03164 2/20 0.37
CA2 P00918 1/20 0.37
PKM P14618 1/20 0.37
MET P08581 4/20 0.36
ESR1 P03372 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
APP P05067 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35

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
SCHEMBL28650586 1.00 MAPT (0.41) MAPTKDM4EHDAC1CYP2D6CA12
SCHEMBL28650120 0.93 MAPT (0.40) MAPTKDM4EHDAC1CYP2D6CA12
SCHEMBL1564456 0.93 MAPT (0.40) MAPTKDM4EHDAC1CYP2D6CA12
SCHEMBL2138812 0.92 MAPT (0.39) MAPTKDM4EHDAC1CA12CA9
SCHEMBL28648613 0.92 MAPT (0.39) MAPTKDM4EHDAC1CA12CA9
SCHEMBL1655918 0.92 MET (0.40) MAPTKDM4EHDAC1CYP2D6CA12
SCHEMBL2137355 0.92 MAPT (0.40) MAPTKDM4ECA12CA9CA1
SCHEMBL28648636 0.92 MAPT (0.40) MAPTKDM4ECA12CA9CA1
SCHEMBL1563980 0.89 MAPT (0.39) MAPTKDM4ECA12CA9CA1
SCHEMBL3636382 0.89 MAPT (0.39) MAPTKDM4ECA12CA9CA1

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
EP-2308826-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed
EP-2308827-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed
EP-2305632-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-06 EP disclosed
EP-2305631-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-06 EP disclosed
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 MAPT 159/4885KDM4E 2018/4885HDAC1 1828/4885

“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.