SCHEMBL21037280

SCHEMBL21037280

CN(CCO)c1ccc2cc(/C=C(\C#N)C(=O)OC(C)(C)C)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.38
RPS6KA3 P51812 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.31
MAPT P10636 5/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
SNCA P37840 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL21037326 0.91 RPS6KA3 (0.36) APPRPS6KA3ALDH1A1MEN1KMT2A
SCHEMBL21160423 0.89 ALDH1A1 (0.33) APPRPS6KA3ALDH1A1MEN1KMT2A
SCHEMBL21160458 0.89 ALDH1A1 (0.36) APPRPS6KA3ALDH1A1MEN1KMT2A
SCHEMBL21234685 0.88 APP (0.43) APPRPS6KA3ALDH1A1MEN1KMT2A
SCHEMBL21160428 0.87 ALDH1A1 (0.36) APPRPS6KA3ALDH1A1MEN1KMT2A
SCHEMBL21037880 0.86 MEN1 (0.34) RPS6KA3ALDH1A1MEN1KMT2A
SCHEMBL21160450 0.86 RPS6KA3 (0.34) APPRPS6KA3ALDH1A1MEN1KMT2A
SCHEMBL21234697 0.86 RPS6KA3 (0.34) APPRPS6KA3ALDH1A1MEN1KMT2A
SCHEMBL22313935 0.86 APP (0.41) APPMAPT
SCHEMBL21037324 0.85 ALDH1A1 (0.33) RPS6KA3ALDH1A1MEN1KMT2AMAPT

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 APP 2001/4885RPS6KA3 2845/4885ALDH1A1 3152/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF APP 2001/4885RPS6KA3 2845/4885ALDH1A1 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.