SCHEMBL17830801

SCHEMBL17830801

C=c1s/c(=C2\C(=O)N(CC(=O)OCc3cccc(C)c3)c3ccc(Cl)cc32)c(=O)n1CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.35
TP53 P04637 2/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH2 P05091 2/20 0.33
ALDH3A1 P30838 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CCKBR P32239 1/20 0.32
P2RX3 P56373 1/20 0.32
MEN1 O00255 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL17830794 0.92 CCKBR (0.38) ALDH1A1SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL17830797 0.92 ALDH1A1 (0.37) ALDH1A1FFAR4P2RX3FFAR1
SCHEMBL17830799 0.90 ALDH1A1 (0.35) ALDH1A1ALDH2ALDH3A1CCKBRP2RX3
SCHEMBL17830798 0.87 MEN1 (0.37) KMT2AALDH1A1CCKBRP2RX3MEN1
SCHEMBL17830802 0.85 MDM2 (0.34) HSP90AA1ALDH1A1GPBAR1FFAR4CCKBR
SCHEMBL17830803 0.85 PTPN7 (0.35) ALDH1A1P2RX3
SCHEMBL17830795 0.83 ALDH1A1 (0.38) KMT2AALDH1A1TP53LMNAMAPT
SCHEMBL17830796 0.83 ALDH1A1 (0.37) KMT2AALDH1A1MAPTALDH2ALDH3A1
SCHEMBL17830793 0.83 PARK7 (0.37) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL17830800 0.81 RECQL (0.36) ALDH1A1TP53MAPTALDH2ALDH3A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSP90AA1 1728/4885KMT2A 1188/4885ALDH1A1 4832/4885

“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.