SCHEMBL16660366

SCHEMBL16660366

CN(CC/N=C\c1ccccc1O)CCN(C)CC/N=C\c1ccccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.68
CA2 P00918 7/20 0.68
KDM4E B2RXH2 3/20 0.68
CA9 Q16790 6/20 0.64
CYP1A2 P05177 1/20 0.47
HIF1A Q16665 1/20 0.47
CA1 P00915 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5695300 0.89 CA12 (0.72) CA12CA2KDM4ECA9CYP1A2
SCHEMBL16247110 0.88 CA12 (0.70) CA12CA2KDM4ECA9CYP1A2
SCHEMBL16247111 0.88 CA12 (0.70) CA12CA2KDM4ECA9CYP1A2
SCHEMBL16246991 0.87 CA12 (0.68) CA12CA2KDM4ECA9CYP1A2
SCHEMBL14866128 0.86 CA12 (0.58) CA12CA2KDM4ECA9CYP1A2
SCHEMBL7100079 0.86 CA12 (0.58) CA12CA2KDM4ECA9CYP1A2
SCHEMBL29609543 0.84 CA12 (0.75) CA12CA2KDM4ECA9CA1
SCHEMBL16221717 0.84 CA12 (0.75) CA12CA2KDM4ECA9CA1
SCHEMBL3659603 0.84 CA12 (0.75) CA12CA2KDM4ECA9CA1
SCHEMBL1469891 0.84 CA12 (0.75) CA12CA2KDM4ECA9CA1

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-20150110715-A1 Double-Labeled Probe for Molecular Imaging and Use Thereof RUPRECHT-KARLS-UNIVERSITAT HEIDELBERG (DE) 2015-04-23 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-20150110715-A1 Double-Labeled Probe for Molecular Imaging and Use Thereof CD47, ANXA5, CD44 CA12 44/4885CA2 73/4885KDM4E 2876/4885

“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.