SCHEMBL21234685

SCHEMBL21234685

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.43
KMT2A Q03164 6/20 0.37
MAPT P10636 6/20 0.37
MEN1 O00255 5/20 0.37
ALDH1A1 P00352 5/20 0.37
SNCA P37840 1/20 0.37
IDE P14735 2/20 0.36
RAB9A P51151 1/20 0.34
PSMD14 O00487 1/20 0.34
CHRNA7 P36544 1/20 0.33
RPS6KA3 P51812 1/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL21037280 0.88 APP (0.38) APPKMT2AMAPTMEN1ALDH1A1
SCHEMBL21037326 0.87 RPS6KA3 (0.36) APPKMT2AMAPTMEN1ALDH1A1
SCHEMBL21160423 0.85 ALDH1A1 (0.33) APPKMT2AMAPTMEN1ALDH1A1
SCHEMBL21160458 0.84 ALDH1A1 (0.36) APPKMT2AMAPTMEN1ALDH1A1
SCHEMBL21160708 0.84 APP (0.45) APPKMT2AMAPTMEN1ALDH1A1
SCHEMBL21160428 0.83 ALDH1A1 (0.36) APPKMT2AMEN1ALDH1A1RPS6KA3
SCHEMBL21037324 0.81 ALDH1A1 (0.33) KMT2AMAPTMEN1ALDH1A1RPS6KA3
SCHEMBL21234756 0.80 KMT2A (0.36) KMT2AMAPTMEN1ALDH1A1RPS6KA3
SCHEMBL21037880 0.77 MEN1 (0.34) KMT2AMEN1ALDH1A1RPS6KA3
SCHEMBL21234755 0.75 KMT2A (0.34) KMT2AMAPTMEN1ALDH1A1RPS6KA3

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-11365203-B2 Fluorescent dye and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-06-21 US disclosed
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-08-08 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-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B APP 1734/4885KMT2A 3545/4885MAPT 2048/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B APP 1734/4885KMT2A 3545/4885MAPT 2048/4885

“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.