SCHEMBL4294827

SCHEMBL4294827

O=C(CCCCOC1=CC(=O)C(=O)c2ccccc21)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.58
CDC25B P30305 2/20 0.48
PTPRC P08575 2/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
PLG P00747 1/20 0.39
ELANE P08246 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTRB1 P17538 1/20 0.39

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
SCHEMBL4303531 0.83 PTPN1 (0.68) PTPN1CDC25BPTPRCCES2CES1
SCHEMBL4289513 0.82 PTPN1 (0.56) PTPN1CDC25BPTPRCCES2CES1
SCHEMBL5596353 0.78 PTPN1 (0.68) PTPN1CDC25BPTPRCALDH1A1MAPK1
SCHEMBL18673 0.77 ALDH1A1 (0.68) CDC25BALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL17084551 0.75 TDP1 (0.67) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL118235 0.75 ALDH1A1 (0.66) CDC25BALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL4941879 0.75 ALDH1A1 (0.66) CDC25BALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL28600680 0.75 ALDH1A1 (0.66) CDC25BALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL20624816 0.75 ALDH1A1 (0.66) CDC25BALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL2926392 0.75 ALDH1A1 (0.66) CDC25BALDH1A1MAPK1L3MBTL1LMNA

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 18 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-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
US-20050233943-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. 2005-10-20 US disclosed
EP-1574507-A2 Furo- and pyrano-naphthoquinones and their use in the treatment of cancer SLIL Biomedical Corporation (US) 2005-09-14 EP disclosed
EP-1185493-B1 QUINONES FOR TREATMENT OF DISEASES SLIL BIOMEDICAL CORP (US) 2005-07-20 EP disclosed
US-20050010060-A1 Novel quinones as disease therapies SLIL BIOMEDICAL CORPORATION (US) 2005-01-13 US disclosed
US-6809176-B2 Quinones as disease therapies SLIL BIOMEDICAL, CORPORATION 2004-10-26 US disclosed
US-20040006049-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases SLIL BIOMEDICAL CORPORATION (US) 2004-01-08 US disclosed
US-6649587-B1 Cytostatic or cytocidal componenet conjugated to a polypeptide recognized and cleaved by enzymes such as prostate specific antigen (PSA) and cathepsin B SLIL BIOMEDICAL CORPORATION 2003-11-18 US disclosed
US-20030013677-A1 QUINONES AS DISEASE THERAPIES CELLGATE, INC. 2003-01-16 US disclosed
US-20020183512-A1 Novel quinones as disease therapies SLIL BIOMEDICAL CORPORATION 2002-12-05 US disclosed
US-6482943-B1 Quinones as disease therapies SLIL BIOMEDICAL CORPORATION 2002-11-19 US disclosed
EP-1185493-A1 QUINONES FOR TREATMENT OF DISEASES SLIL Biomedical Corporation (US) 2002-03-13 EP disclosed
EP-1173223-A2 CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES Slil Biomedical Corporation (US) 2002-01-23 EP disclosed
WO-2000066175-A2 CONJUGATES AS THERAPIES FOR CANCER AND PROSTATE DISEASES SLIL BIOMEDICAL CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066528-A2 QUINONES FOR TREATMENT OF DISEASES SLIL BIOMEDICAL CORPORATION (US) 2000-11-09 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 (7 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 PTPN1 3247/4885CDC25B 1302/4885PTPRC 1827/4885
US-20040006049-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CTSB, CTSL, CTSV PTPN1 4034/4885CDC25B 511/4885PTPRC 1675/4885
US-20030013677-A1 QUINONES AS DISEASE THERAPIES NQO1, NDUFV2, SDHB PTPN1 3153/4885CDC25B 1217/4885PTPRC 1718/4885
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, KLK3, FOLH1 PTPN1 3701/4885CDC25B 190/4885PTPRC 1472/4885
US-20050233943-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CTSB, CTSL, CTSV PTPN1 4034/4885CDC25B 511/4885PTPRC 1675/4885
US-20020183512-A1 Novel quinones as disease therapies NQO1, NDUFV2, SDHB PTPN1 3247/4885CDC25B 1302/4885PTPRC 1827/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV PTPN1 4034/4885CDC25B 511/4885PTPRC 1675/4885

“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.