SCHEMBL4191344

SCHEMBL4191344

COc1ccc(C2OCCN2CCNc2ccc(NCCN3CCOC3c3ccc(OC)cc3)c3c2C(=O)c2c(NCCN4CCOC4c4ccc(OC)cc4)ccc(NCCN4CCOC4c4ccc(OC)cc4)c2C3=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
DRD3 P35462 3/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNA5 P22460 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNA3 P22001 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNA1 Q09470 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
SCHEMBL11174126 0.94 CYP19A1 (0.40) DRD2MAPK1L3MBTL1PTGS2DRD3
SCHEMBL4342591 0.90 MAPK1 (0.35) DRD2MAPK1L3MBTL1DRD3MAPT
SCHEMBL4186617 0.85 ALDH1A1 (0.32) MAPK1PTGS2DRD3KMT2AALDH1A1
SCHEMBL4200315 0.85 KDM4E (0.42) MAPK1L3MBTL1PTGS2DRD3KMT2A
SCHEMBL4198995 0.85 MEN1 (0.37) MAPK1L3MBTL1PTGS2DRD3KMT2A
SCHEMBL11175513 0.85 CYP19A1 (0.40) DRD2MAPK1L3MBTL1PTGS2DRD3
SCHEMBL4187405 0.84 ALDH1A1 (0.32) L3MBTL1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4195625 0.84 MAPK1 (0.43) MAPK1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL11184412 0.82 CYP19A1 (0.41) DRD2MAPK1L3MBTL1PTGS2DRD3
SCHEMBL4193611 0.81 SLC6A4 (0.38) DRD2L3MBTL1DRD3KMT2AKDM4E

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 DRD2 4391/4885MAPK1 802/4885L3MBTL1 1864/4885

“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.