SCHEMBL5595620

SCHEMBL5595620

CCCCCCOC1=CC(=O)C(=O)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.69
CDC25B P30305 1/20 0.69
PTPN1 P18031 5/20 0.68
APAF1 O14727 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
SOAT1 P35610 8/20 0.48

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
SCHEMBL5595746 1.00 PTPRC (0.69) PTPRCCDC25BPTPN1APAF1ALDH1A1
SCHEMBL4294847 0.98 PTPRC (0.71) PTPRCCDC25BPTPN1APAF1ALDH1A1
Naphthoquinone SCHEMBL8525306 0.94 PTPRC (0.61) PTPRCCDC25BPTPN1APAF1ALDH1A1
SCHEMBL9628579 0.88 CDC25B (0.56) PTPRCCDC25BPTPN1APAF1ALDH1A1
SCHEMBL11247136 0.88 CDC25B (0.56) PTPRCCDC25BPTPN1APAF1ALDH1A1
SCHEMBL9713908 0.88 CDC25B (0.56) PTPRCCDC25BPTPN1APAF1ALDH1A1
SCHEMBL7718305 0.88 PTPRC (0.51) PTPRCCDC25BPTPN1APAF1ALDH1A1
SCHEMBL7718306 0.88 PTPRC (0.51) PTPRCCDC25BPTPN1APAF1ALDH1A1
SCHEMBL9444193 0.86 CDC25B (0.57) PTPRCCDC25BPTPN1APAF1ALDH1A1
SCHEMBL13611359 0.86 PTPN1 (0.69) PTPRCCDC25BPTPN1ALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
US-20050010060-A1 Novel quinones as disease therapies SLIL BIOMEDICAL CORPORATION (US) 2005-01-13 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 (3 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-20050010060-A1 Novel quinones as disease therapies NQO1, NDUFV2, SDHB PTPRC 1827/4885CDC25B 1302/4885PTPN1 3247/4885
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, KLK3, FOLH1 PTPRC 1472/4885CDC25B 190/4885PTPN1 3701/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV PTPRC 1675/4885CDC25B 511/4885PTPN1 4034/4885

“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.