SCHEMBL17830797

SCHEMBL17830797

C=c1s/c(=C2\C(=O)N(CC(=O)OCc3ccc(C)cc3)c3ccc(Cl)cc32)c(=O)n1CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
P2RX3 P56373 10/20 0.37
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GAA P10253 1/20 0.34
EP300 Q09472 2/20 0.34
CREBBP Q92793 2/20 0.34
KAT2A Q92830 2/20 0.34
KAT2B Q92831 2/20 0.34
P2RX2 Q9UBL9 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL17830799 0.95 ALDH1A1 (0.35) ALDH1A1P2RX3KDM4E
SCHEMBL17830794 0.93 CCKBR (0.38) ALDH1A1KAT2BKDM4E
SCHEMBL17830798 0.92 MEN1 (0.37) ALDH1A1P2RX3KAT2BKDM4E
SCHEMBL17830801 0.92 HSP90AA1 (0.37) ALDH1A1P2RX3FFAR1FFAR4
SCHEMBL17830802 0.90 MDM2 (0.34) ALDH1A1P2RX3FFAR4KDM4E
SCHEMBL17830803 0.87 PTPN7 (0.35) ALDH1A1P2RX3KAT2BKDM4E
SCHEMBL17830795 0.84 ALDH1A1 (0.38) ALDH1A1KDM4E
SCHEMBL17830796 0.83 ALDH1A1 (0.37) ALDH1A1
SCHEMBL17830793 0.83 PARK7 (0.37) ALDH1A1KAT2B
SCHEMBL17830800 0.81 RECQL (0.36) ALDH1A1P2RX3

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 ALDH1A1 4832/4885P2RX3 4858/4885FFAR1 4541/4885

“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.