SCHEMBL18623960

SCHEMBL18623960

CCN(CC)c1ccc2c(c1)Cc1c(ccc(O)c1C=O)C2c1ccccc1CO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.34
MAPT P10636 7/20 0.34
GAA P10253 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 2/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GRK6 P43250 1/20 0.33
S1PR1 P21453 1/20 0.32
CYP3A4 P08684 1/20 0.32
CES2 O00748 1/20 0.32
MAPK1 P28482 2/20 0.32
STS P08842 1/20 0.31

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
SCHEMBL18623959 0.83 MAPT (0.38) ALDH1A1MAPTGAANPSR1SMN1; SMN2
SCHEMBL18623953 0.80 SMN1; SMN2 (0.35) ALDH1A1MAPTGAANPSR1SMN1; SMN2
SCHEMBL18623952 0.72 ALDH1A1 (0.37) ALDH1A1MAPTGAANPSR1SMN1; SMN2
SCHEMBL18179775 0.70 MEN1 (0.43) ALDH1A1MAPTGAANPSR1SMN1; SMN2
SCHEMBL21396616 0.70 KDM1A (0.38) ALDH1A1MAPTGAANPSR1KDM4E
SCHEMBL24591429 0.70 SLC2A1 (0.35) ALDH1A1MAPTGAANPSR1SMN1; SMN2
SCHEMBL18606132 0.68 ALDH1A1 (0.43) ALDH1A1MAPTGAANPSR1SMN1; SMN2
SCHEMBL18623951 0.67 GAA (0.33) ALDH1A1MAPTGAANPSR1SMN1; SMN2
SCHEMBL24591452 0.67 S100B (0.40) ALDH1A1MAPTNPSR1SMN1; SMN2LMNA
SCHEMBL29707447 0.65 MEN1 (0.36) ALDH1A1MAPTGAANPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981934-B2 Enzyme-specific fluorescent compound capable of being retained in cells THE UNIVERSITY OF TOKYO (JP) 2018-05-29 US disclosed
US-9981934-B2 Enzyme-specific fluorescent compound capable of being retained in cells THE UNIVERSITY OF TOKYO (JP) 2018-05-29 US disclosed
US-20170073321-A1 ENZYME-SPECIFIC FLUORESCENT COMPOUND CAPABLE OF BEING RETAINED IN CELLS THE UNIVERSITY OF TOKYO (JP) 2017-03-16 US disclosed
US-20170073321-A1 ENZYME-SPECIFIC FLUORESCENT COMPOUND CAPABLE OF BEING RETAINED IN CELLS THE UNIVERSITY OF TOKYO (JP) 2017-03-16 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-20170073321-A1 ENZYME-SPECIFIC FLUORESCENT COMPOUND CAPABLE OF BEING RETAINED IN CELLS GLB1, GLA, GUSB ALDH1A1 161/4885MAPT 3579/4885GAA 4/4885

“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.