SCHEMBL21165152

SCHEMBL21165152

CCN(CC)c1ccc(C2OCCO2)c(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
MAPT P10636 6/20 0.46
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A3 P47895 2/20 0.44
ALDH3A1 P30838 1/20 0.44
IGLV6-57 P01721 3/20 0.40
GLA P06280 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL21165084 0.76 ALDH1A1 (0.34) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL28379902 0.74 ALDH1A1 (0.67) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL21164867 0.72 ERN1 (0.50) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL2845185 0.72 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL8124438 0.70 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL5462848 0.70 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL31268246 0.70 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL7678827 0.70 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL11041194 0.70 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL2845181 0.68 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPTKDM4EMEN1

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-10351706-B2 Near-infrared fluorescent dyes and uses thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-07-16 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-10351706-B2 Near-infrared fluorescent dyes and uses thereof IK, CYBA, CRY2 ALDH1A1 192/4885L3MBTL1 2326/4885MAPT 470/4885

“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.