SCHEMBL4198261

SCHEMBL4198261

CCCCCCC1OCCN1CCNc1ccc(NCCN2CCOC2CCCCCC)c2c1C(=O)c1c(NCCN3CCOC3CCCCCC)ccc(NCCN3CCOC3CCCCCC)c1C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
RGS12 O14924 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FGFR1 P11362 2/20 0.34
KDR P35968 2/20 0.34
PDGFRA P16234 1/20 0.34
GRM2 Q14416 6/20 0.33
DRD2 P14416 1/20 0.33
CYP19A1 P11511 1/20 0.33
DYRK3 O43781 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
SCHEMBL11188661 0.94 CYP19A1 (0.44) MEN1MAPTHTTKMT2ARGS12
SCHEMBL4202357 0.92 MEN1 (0.34) MEN1MAPTHTTKMT2ARGS12
SCHEMBL11017846 0.85 CYP19A1 (0.45) MEN1MAPTHTTKMT2AUSP2
SCHEMBL11176590 0.79 NQO1 (0.39) MEN1MAPTHTTKMT2ARGS12
SCHEMBL4187451 0.78 CYP19A1 (0.35) MEN1MAPTHTTKMT2AUSP2
SCHEMBL359535 0.74 EPHX1 (0.44) MEN1HTTKMT2AALDH1A1
SCHEMBL4198995 0.74 MEN1 (0.37) MEN1MAPTHTTKMT2AUSP2
SCHEMBL4190666 0.73 KMT2A (0.32) MEN1MAPTHTTKMT2APOLB
SCHEMBL4200962 0.72 CYP19A1 (0.33) MEN1MAPTHTTKMT2AUSP2
SCHEMBL11179562 0.72 CYP19A1 (0.48) MEN1MAPTHTTKMT2AUSP2

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-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone ISHMAEL D RICHARD 2009-06-18 US claimed

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-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone CASP4, CASP8, CASP1 MEN1 2002/4885MAPT 4707/4885HTT 1313/4885

“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.