SCHEMBL17830744

SCHEMBL17830744

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

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
ALDH3A1 P30838 6/20 0.53
ALDH2 P05091 3/20 0.53
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CES2 O00748 1/20 0.46
BCHE P06276 1/20 0.46
CES1 P23141 1/20 0.46
KMT2A Q03164 1/20 0.44
CUL4A Q13619 1/20 0.43
CCKBR P32239 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 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
SCHEMBL17830742 0.93 ALDH1A1 (0.63) ALDH1A1ALDH3A1ALDH2KMT2APOLB
SCHEMBL17830746 0.93 ALDH1A1 (0.51) ALDH1A1ALDH3A1ALDH2CA12CA1
SCHEMBL17830710 0.93 ALDH1A1 (0.64) ALDH1A1ALDH3A1ALDH2KMT2ACCKBR
SCHEMBL17830740 0.91 ALDH1A1 (0.52) ALDH1A1ALDH3A1ALDH2CA12CA1
SCHEMBL17830751 0.91 ALDH1A1 (0.51) ALDH1A1ALDH3A1ALDH2CA12CA1
SCHEMBL17830748 0.90 CHRM5 (0.53) ALDH1A1ALDH3A1ALDH2CA12CA1
SCHEMBL17830745 0.89 ALDH1A1 (0.56) ALDH1A1ALDH3A1ALDH2KMT2AMAPT
SCHEMBL17830753 0.89 CA12 (0.51) ALDH1A1ALDH3A1ALDH2CA12CA1
SCHEMBL17830755 0.86 ALDH1A1 (0.49) ALDH1A1ALDH3A1ALDH2CA12CA1
SCHEMBL17830747 0.85 ALDH1A1 (0.52) ALDH1A1ALDH3A1ALDH2CA12CA1

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 4832/4885ALDH3A1 4762/4885ALDH2 4714/4885

“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.