SCHEMBL21160428

SCHEMBL21160428

CC(C)(C)OC(=O)/C(C#N)=C/c1cc2ccc(N(CCO)CCC#N)cc2s1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
SLC16A3 O15427 4/20 0.35
SLC16A1 P53985 4/20 0.35
RPS6KA3 P51812 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 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
SCHEMBL21037326 0.95 RPS6KA3 (0.36) ALDH1A1ATMSLC16A3SLC16A1RPS6KA3
SCHEMBL21160458 0.91 ALDH1A1 (0.36) ALDH1A1SLC16A3SLC16A1RPS6KA3MEN1
SCHEMBL21037324 0.89 ALDH1A1 (0.33) ALDH1A1SLC16A3SLC16A1RPS6KA3MEN1
SCHEMBL21037280 0.87 APP (0.38) ALDH1A1ATMRPS6KA3MEN1KMT2A
SCHEMBL21234685 0.83 APP (0.43) ALDH1A1RPS6KA3MEN1KMT2AAPP
SCHEMBL21160423 0.79 ALDH1A1 (0.33) ALDH1A1ATMSLC16A3SLC16A1RPS6KA3
SCHEMBL21160425 0.78 CYP2A6 (0.38) ALDH1A1
SCHEMBL21037880 0.78 MEN1 (0.34) ALDH1A1RPS6KA3MEN1KMT2A
SCHEMBL21037003 0.75 MEN1 (0.50) ALDH1A1MEN1KMT2A
SCHEMBL22313935 0.75 APP (0.41) SLC16A3SLC16A1APP

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 ALDH1A1 3152/4885ATM 3914/4885SLC16A3 3971/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF ALDH1A1 3152/4885ATM 3914/4885SLC16A3 3971/4885

“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.