SCHEMBL4187405

SCHEMBL4187405

CN(C)c1ccc(C2OCCN2CCNc2ccc(NCCN3CCOC3c3ccc(N(C)C)cc3)c3c2C(=O)c2c(NCCN4CCOC4c4ccc(N(C)C)cc4)ccc(NCCN4CCOC4c4ccc(N(C)C)cc4)c2C3=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C19 P33261 3/20 0.32
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 3/20 0.32
GAA P10253 3/20 0.32
ALOX15 P16050 2/20 0.32
HIF1A Q16665 1/20 0.32
PDGFRB P09619 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
HBB P68871 1/20 0.31

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
SCHEMBL11179811 0.94 CYP19A1 (0.40) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL11185014 0.93 EHMT2 (0.39) ALDH1A1MAPTKDM4EGAAPDGFRB
SCHEMBL4186617 0.85 ALDH1A1 (0.32) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4198995 0.85 MEN1 (0.37) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL4191344 0.84 DRD2 (0.36) ALDH1A1MAPTCYP3A4HSD17B10KDM4E
SCHEMBL4200315 0.83 KDM4E (0.42) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL11184772 0.80 CYP19A1 (0.43) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL11174126 0.79 CYP19A1 (0.40) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL11178298 0.79 CYP19A1 (0.44) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL4193611 0.79 SLC6A4 (0.38) LMNACYP1A2CYP3A4CYP2D6CYP2C19

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 ALDH1A1 791/4885MAPT 4707/4885LMNA 1489/4885

“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.