SCHEMBL4294857

SCHEMBL4294857

O=C(CCCl)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCCl)ccc1C2=O

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.74
CASP2 P42575 1/20 0.74
CASP7 P55210 1/20 0.74
CASP6 P55212 1/20 0.74
CASP8 Q14790 1/20 0.74
TERT O14746 14/20 0.71
PTPRC P08575 1/20 0.64

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
SCHEMBL9629661 1.00 CASP3 (0.74) CASP3CASP2CASP7CASP6CASP8
SCHEMBL13663715 0.94 PTPRC (0.74) CASP3CASP2CASP7CASP6CASP8
SCHEMBL4293006 0.90 CASP3 (0.75) CASP3CASP2CASP7CASP6CASP8
SCHEMBL11633144 0.90 CASP3 (0.75) CASP3CASP2CASP7CASP6CASP8
SCHEMBL4298269 0.87 PTPRC (0.83) TERTPTPRC
SCHEMBL4294197 0.86 CASP3 (0.72) CASP3TERT
SCHEMBL31237670 0.86 CASP3 (0.72) CASP3TERT
SCHEMBL9630631 0.86 CASP3 (0.72) CASP3TERT
SCHEMBL15427156 0.82 ALDH1A1 (0.72) CASP3TERTPTPRC
SCHEMBL3382902 0.81 ALDH1A1 (0.70) CASP3TERTPTPRC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253709-A1 SYNTHESIS, TELOMERASE INHIBITION AND CYTOTOXIC STUDIES ON 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES NATIONAL DEFENSE MEDICAL CENTER (TW) 2009-10-08 US disclosed
US-20090253709-A1 SYNTHESIS, TELOMERASE INHIBITION AND CYTOTOXIC STUDIES ON 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES NATIONAL DEFENSE MEDICAL CENTER (TW) 2009-10-08 US disclosed
US-20090253709-A1 SYNTHESIS, TELOMERASE INHIBITION AND CYTOTOXIC STUDIES ON 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES NATIONAL DEFENSE MEDICAL CENTER (TW) 2009-10-08 US disclosed
WO-1998025884-A1 FURTHER ANTHRAQUINONES WITH BIOLOGICAL ACTIVITY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-06-18 WO 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-20090253709-A1 SYNTHESIS, TELOMERASE INHIBITION AND CYTOTOXIC STUDIES ON 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES TERT, NAT10, POT1 CASP3 916/4885CASP2 1408/4885CASP7 430/4885

“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.