SCHEMBL17830748

SCHEMBL17830748

O=C(CN1C(=O)C(=O)c2cc(Cl)ccc21)OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 4/20 0.53
HSP90AA1 P07900 1/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 7/20 0.48
ALDH3A1 P30838 10/20 0.48
ALDH2 P05091 4/20 0.47
CHRM3 P20309 1/20 0.45

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 0.90 ALDH1A1 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL17830749 0.89 CA1 (0.49) CHRM5HSP90AA1CA1CA2CA9
SCHEMBL17830746 0.88 ALDH1A1 (0.51) CHRM5CA12CA1CA2CA9
SCHEMBL17830742 0.86 ALDH1A1 (0.63) HSP90AA1ALDH1A1ALDH3A1ALDH2
SCHEMBL17830751 0.86 ALDH1A1 (0.51) CHRM5CA12CA1CA2CA9
SCHEMBL17830710 0.85 ALDH1A1 (0.64) ALDH1A1ALDH3A1ALDH2
SCHEMBL17830740 0.84 ALDH1A1 (0.52) CHRM5CA12CA1CA2CA9
SCHEMBL17830745 0.82 ALDH1A1 (0.56) ALDH1A1ALDH3A1ALDH2
SCHEMBL17830753 0.82 CA12 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL30937987 0.81 CHRM5 (0.76) CHRM5HSP90AA1CA12CA1CA2

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 CHRM5 4879/4885HSP90AA1 1728/4885CA12 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.