SCHEMBL21160095

SCHEMBL21160095

CN(CCO)c1ccc(C#CCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
MMP2 P08253 1/20 0.39
MMP12 P39900 1/20 0.39
APP P05067 5/20 0.39

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
SCHEMBL12694260 0.81 L3MBTL1 (0.43) L3MBTL1APPSLC6A4NOX1ALDH1A1
SCHEMBL8707328 0.81 L3MBTL1 (0.46) L3MBTL1APPNOX1ALDH1A1KDM4E
SCHEMBL21036838 0.78 L3MBTL1 (0.41) L3MBTL1APPNOX1ALDH1A1KDM4E
SCHEMBL5776081 0.78 L3MBTL1 (0.43) L3MBTL1MMP2APPNOX1ALDH1A1
SCHEMBL6446069 0.76 MMP2 (0.55) L3MBTL1GABRPGABRDGABRA1GABRB1
SCHEMBL15127583 0.75 KCNH2 (0.44) L3MBTL1GABRPGABRDGABRA1GABRB1
SCHEMBL14921136 0.74 ALDH1A1 (0.52) L3MBTL1APPNOX1ALDH1A1KDM4E
SCHEMBL9532118 0.74 ALDH1A1 (0.45) L3MBTL1GABRPGABRDGABRA1GABRB1
SCHEMBL194538 0.72 ALDH1A1 (0.48) L3MBTL1APPNOX1ALDH1A1KDM4E
SCHEMBL6643854 0.72 L3MBTL1 (0.47) L3MBTL1APPNOX1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 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 (2 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF L3MBTL1 616/4885GABRP 2779/4885GABRD 4246/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF L3MBTL1 616/4885GABRP 2779/4885GABRD 4246/4885

“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.