SCHEMBL21037409

SCHEMBL21037409

CN(CCO)c1ccc(C#C/C=C(\C#N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
APP P05067 2/20 0.33
RPS6KA3 P51812 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL21160620 0.84 L3MBTL1 (0.40) L3MBTL1APPMEN1ALDH1A1MAPT
SCHEMBL21037254 0.82 MEN1 (0.45) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL24089767 0.74 MAPT (0.53) MEN1ALDH1A1MAPTKMT2A
SCHEMBL21037329 0.74 MAPT (0.48) L3MBTL1APPRPS6KA3MEN1ALDH1A1
SCHEMBL22295750 0.74 L3MBTL1 (0.40) L3MBTL1APP
SCHEMBL22314205 0.73 APP (0.41) APPRPS6KA3MEN1ALDH1A1MAPT
SCHEMBL24089680 0.72 APP (0.38) APPRPS6KA3MEN1ALDH1A1MAPT
SCHEMBL21036838 0.71 L3MBTL1 (0.41) L3MBTL1APPMEN1ALDH1A1MAPT
SCHEMBL21037003 0.71 MEN1 (0.50) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL21037850 0.71 MEN1 (0.46) L3MBTL1MEN1ALDH1A1MAPTKMT2A

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 3 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
EP-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 EP 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 616/4885APP 2001/4885RPS6KA3 2845/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF L3MBTL1 616/4885APP 2001/4885RPS6KA3 2845/4885

“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.