SCHEMBL17830758

SCHEMBL17830758

O=C1C(=O)N(CCOCc2ccc(CO)cc2)c2ccc(Cl)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 6/20 0.54
ALDH1A1 P00352 5/20 0.54
ALDH2 P05091 3/20 0.54
CHRM5 P08912 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RCE1 Q9Y256 1/20 0.42
CES2 O00748 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
ACHE P22303 1/20 0.40

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
SCHEMBL16366700 0.86 CHRM5 (0.53) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL4625293 0.78 ALDH3A1 (0.65) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL4624033 0.74 ALDH3A1 (0.65) ALDH3A1ALDH1A1ALDH2CA12CA1
SCHEMBL28533366 0.73 ALDH3A1 (0.67) ALDH3A1ALDH1A1ALDH2CHRM5CES1
SCHEMBL29869527 0.73 ALDH3A1 (0.82) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL11186018 0.73 ALDH3A1 (0.82) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL17830744 0.73 ALDH1A1 (0.55) ALDH3A1ALDH1A1ALDH2CA12CA1
SCHEMBL16048101 0.72 ALDH3A1 (0.65) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL29220078 0.72 ALDH3A1 (0.65) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL17286209 0.72 ALDH3A1 (0.65) ALDH3A1ALDH1A1ALDH2CHRM5CA12

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 2 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-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 ALDH3A1 4762/4885ALDH1A1 4832/4885ALDH2 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.