SCHEMBL21037003

SCHEMBL21037003

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 7/20 0.50
MAPT P10636 5/20 0.50
POLB P06746 2/20 0.50
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PSMD14 O00487 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL21037254 0.89 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL14703188 0.86 MAPT (0.48) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL14701240 0.82 MAPT (0.49) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL21037850 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL16428867 0.79 ALDH1A1 (0.66) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL16428869 0.79 ALDH1A1 (0.66) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL16428868 0.79 ALDH1A1 (0.66) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL21037326 0.79 RPS6KA3 (0.36) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL11436185 0.78 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL17392758 0.77 MCL1 (0.57) MEN1KMT2AALDH1A1MAPTPOLB

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-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
EP-3690002-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF East China University of Science and Technology (CN) 2020-08-05 EP 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 MEN1 2099/4885KMT2A 4751/4885ALDH1A1 3152/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF MEN1 2099/4885KMT2A 4751/4885ALDH1A1 3152/4885

“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.