SCHEMBL17830740

SCHEMBL17830740

COc1ccc(COC(=O)CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CHRM5 P08912 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH3A1 P30838 6/20 0.47
ALDH2 P05091 2/20 0.47
PARK7 Q99497 1/20 0.45
CASP3 P42574 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL17830744 0.91 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA9
SCHEMBL17830742 0.89 ALDH1A1 (0.63) ALDH1A1ALDH3A1ALDH2MEN1KMT2A
SCHEMBL17830741 0.89 ALDH1A1 (0.50) ALDH1A1CHRM5ALDH3A1ALDH2PARK7
SCHEMBL17830746 0.87 ALDH1A1 (0.51) ALDH1A1CHRM5CA12CA1CA2
SCHEMBL17830710 0.86 ALDH1A1 (0.64) ALDH1A1ALDH3A1ALDH2PARK7KMT2A
SCHEMBL17830751 0.84 ALDH1A1 (0.51) ALDH1A1CHRM5CA12CA1CA2
SCHEMBL17830748 0.84 CHRM5 (0.53) ALDH1A1CHRM5CA12CA1CA2
SCHEMBL17830745 0.83 ALDH1A1 (0.56) ALDH1A1ALDH3A1ALDH2KMT2A
SCHEMBL17830753 0.83 CA12 (0.51) ALDH1A1CA12CA1CA2CA9
SCHEMBL17830743 0.82 ALDH1A1 (0.60) ALDH1A1ALDH3A1ALDH2MEN1KMT2A

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-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 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-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS BCL6, BCL6B, BAZ2A ALDH1A1 4832/4885CHRM5 4879/4885CA12 3290/4885

“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.