SCHEMBL17830799

SCHEMBL17830799

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CCKBR P32239 1/20 0.35
MDM2 Q00987 2/20 0.34
P2RX3 P56373 9/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH3A1 P30838 1/20 0.32
KMO O15229 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 0.96 CCKBR (0.38) ALDH1A1KDM4ECCKBRHPGDTSHR
SCHEMBL17830797 0.95 ALDH1A1 (0.37) ALDH1A1KDM4EP2RX3
SCHEMBL17830798 0.95 MEN1 (0.37) ALDH1A1KDM4ECCKBRMDM2P2RX3
SCHEMBL17830802 0.93 MDM2 (0.34) ALDH1A1KDM4ECCKBRMDM2P2RX3
SCHEMBL17830801 0.90 HSP90AA1 (0.37) ALDH1A1CCKBRP2RX3ALDH2ALDH3A1
SCHEMBL17830803 0.88 PTPN7 (0.35) ALDH1A1KDM4EMDM2P2RX3KMO
SCHEMBL17830796 0.86 ALDH1A1 (0.37) ALDH1A1TSHRALDH2ALDH3A1KMO
SCHEMBL17830793 0.86 PARK7 (0.37) ALDH1A1HPGDTSHRKMO
SCHEMBL17830795 0.84 ALDH1A1 (0.38) ALDH1A1KDM4ECCKBRHPGDTSHR
SCHEMBL17830800 0.82 RECQL (0.36) ALDH1A1MDM2P2RX3ALDH2ALDH3A1

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 4832/4885KDM4E 255/4885CCKBR 3591/4885

“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.