SCHEMBL18623959

SCHEMBL18623959

CCN(CC)c1ccc2c(c1)Cc1cc(O)c(C=O)cc1C2c1ccccc1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.38
ALDH1A1 P00352 10/20 0.38
GAA P10253 6/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 7/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 5/20 0.38
HTT P42858 3/20 0.38
HIF1A Q16665 2/20 0.37
MAPK1 P28482 4/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HPGD P15428 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALOX12 P18054 1/20 0.35
PKM P14618 1/20 0.35
CYBB P04839 1/20 0.34
NOX4 Q9NPH5 1/20 0.34

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
SCHEMBL18623952 0.83 ALDH1A1 (0.37) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL18623960 0.83 ALDH1A1 (0.34) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL24591429 0.77 SLC2A1 (0.35) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL18623953 0.73 SMN1; SMN2 (0.35) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL18179775 0.71 MEN1 (0.43) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL21396616 0.71 KDM1A (0.38) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL18606132 0.69 ALDH1A1 (0.43) MAPTALDH1A1GAANPSR1SMN1; SMN2
SCHEMBL21396517 0.67 HTR2A (0.38) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL5462848 0.67 ALDH1A1 (0.57) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL31268246 0.67 ALDH1A1 (0.57) MAPTALDH1A1GAANPSR1KDM4E

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 MAPT 3579/4885ALDH1A1 161/4885GAA 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.