SCHEMBL23944952

SCHEMBL23944952

CCCOC(=O)/C=C/c1cc2ccccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
APP P05067 2/20 0.40
KMT2A Q03164 4/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ALOX5 P09917 1/20 0.37
NR1H2 P55055 3/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOD2 Q9HC29 1/20 0.34

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
SCHEMBL2239999 0.92 KDM4E (0.42) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL3553083 0.85 KDM4E (0.46) ALDH1A1KDM4EKMT2AMEN1PSEN1
SCHEMBL3553079 0.85 KDM4E (0.46) ALDH1A1KDM4EKMT2AMEN1PSEN1
SCHEMBL5353392 0.79 ABCC2 (0.43) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL5353398 0.79 ABCC2 (0.43) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL23945037 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL12355545 0.77 MEN1 (0.48) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL2240003 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1PSEN1
SCHEMBL2240000 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1PSEN1
SCHEMBL5359096 0.75 CCR2 (0.49) ALDH1A1KDM4EKMT2AMAPTNR1H2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 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 (1 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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 ALDH1A1 4132/4885KDM4E 3455/4885APP 3287/4885

“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.