SCHEMBL12299161

SCHEMBL12299161

O=C(O)c1coc(-c2coc(-c3coc(I)n3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HDAC1 Q13547 9/20 0.36
HDAC8 Q9BY41 9/20 0.36
HDAC6 Q9UBN7 9/20 0.36
PTPN1 P18031 1/20 0.35
PDE4B Q07343 2/20 0.32
CES1 P23141 1/20 0.31
JAK2 O60674 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8145437 0.82
SCHEMBL12522843 0.80 ALDH1A1 (0.45) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL12452968 0.78 HDAC1 (0.40) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL10025450 0.78 ALDH1A1 (0.36) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL12522824 0.76 HDAC1 (0.58) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL12299145 0.76 ALDH1A1 (0.36) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL10058185 0.76 ALDH1A1 (0.36) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL10025462 0.76 ALDH1A1 (0.39) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL2436714 0.74 ALDH1A1 (0.36) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL10059031 0.74 ALDH1A1 (0.36) ALDH1A1HDAC1HDAC8HDAC6PTPN1

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-8729060-B2 Macrocyclic polyoxazole compounds and use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-20 US disclosed
US-8729060-B2 Macrocyclic polyoxazole compounds and use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-20 US disclosed
US-20110230531-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2011-09-22 US disclosed
US-20110230531-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2011-09-22 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-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL ALDH1A1 499/4885HDAC1 114/4885HDAC8 769/4885

“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.