SCHEMBL17830711

SCHEMBL17830711

O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
ALDH3A1 P30838 7/20 0.63
ALDH2 P05091 5/20 0.63
CUL4A Q13619 1/20 0.60
CES1 P23141 1/20 0.55
ACHE P22303 2/20 0.52
KMT2A Q03164 1/20 0.47
PARK7 Q99497 1/20 0.46
CTRB1 P17538 1/20 0.46
AGTR1 P30556 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
SCHEMBL13628082 0.86 ALDH1A1 (0.46) ALDH1A1ALDH3A1ALDH2CUL4ACES1
SCHEMBL17830712 0.86 PARK7 (0.60) ALDH1A1ALDH3A1KMT2APARK7CTRB1
SCHEMBL17830710 0.86 ALDH1A1 (0.64) ALDH1A1ALDH3A1ALDH2KMT2APARK7
SCHEMBL12674685 0.83 ALDH1A1 (0.76) ALDH1A1ALDH3A1ALDH2CUL4ACES1
SCHEMBL13637635 0.80 ALDH1A1 (0.39) ALDH1A1ALDH3A1ALDH2CUL4ACTRB1
SCHEMBL17830744 0.78 ALDH1A1 (0.55) ALDH1A1ALDH3A1ALDH2CUL4ACES1
SCHEMBL5659265 0.78 ALDH1A1 (1.00) ALDH1A1ALDH3A1ALDH2CUL4ACES1
SCHEMBL17830745 0.78 ALDH1A1 (0.56) ALDH1A1ALDH3A1ALDH2KMT2A
SCHEMBL17830707 0.76 APEX1 (0.61) KMT2A
SCHEMBL16799029 0.76 ALDH1A1 (1.00) ALDH1A1ALDH3A1ALDH2CUL4ACES1

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.