SCHEMBL17830741

SCHEMBL17830741

COc1cccc(COC(=O)CN2C(=O)C(=O)c3cc(Cl)ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
ALDH3A1 P30838 4/20 0.50
ALDH2 P05091 2/20 0.50
PARK7 Q99497 1/20 0.50
CHRM5 P08912 2/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.47
GPBAR1 Q8TDU6 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 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
SCHEMBL17830745 0.89 ALDH1A1 (0.56) ALDH1A1ALDH3A1ALDH2MMP1MMP2
SCHEMBL17830740 0.89 ALDH1A1 (0.52) ALDH1A1ALDH3A1ALDH2PARK7CHRM5
SCHEMBL17830743 0.88 ALDH1A1 (0.60) ALDH1A1ALDH3A1ALDH2MAPTHTT
SCHEMBL17830710 0.86 ALDH1A1 (0.64) ALDH1A1ALDH3A1ALDH2PARK7MAPT
SCHEMBL17830747 0.85 ALDH1A1 (0.52) ALDH1A1ALDH3A1ALDH2PARK7MAPT
SCHEMBL17830754 0.84 CASP1 (0.52) ALDH1A1ALDH3A1ALDH2MAPTHTT
SCHEMBL17830744 0.84 ALDH1A1 (0.55) ALDH1A1ALDH3A1ALDH2MAPT
SCHEMBL17830749 0.83 CA1 (0.49) ALDH1A1ALDH3A1ALDH2CHRM5GPBAR1
SCHEMBL17830742 0.82 ALDH1A1 (0.63) ALDH1A1ALDH3A1ALDH2MAPTHTT
SCHEMBL17830752 0.80 ALDH1A1 (0.51) ALDH1A1ALDH3A1ALDH2CHRM5MAPT

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.