SCHEMBL5595641

SCHEMBL5595641

CCOC1=CC(=O)C(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 1.00
CDC25B P30305 2/20 1.00
PTPN1 P18031 5/20 0.65
CES2 O00748 7/20 0.56
CES1 P23141 7/20 0.56
MALT1 Q9UDY8 1/20 0.50
IDO1 P14902 1/20 0.50
CDC25A P30304 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.47
ALDH1A1 P00352 2/20 0.46
APAF1 O14727 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46

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
SCHEMBL7717344 0.85 CDC25B (0.74) PTPRCCDC25BPTPN1CES2CES1
SCHEMBL7717346 0.85 CDC25B (0.74) PTPRCCDC25BPTPN1CES2CES1
SCHEMBL29800450 0.85 CDC25B (0.74) PTPRCCDC25BPTPN1CES2CES1
SCHEMBL2511730 0.85 CDC25B (0.74) PTPRCCDC25BPTPN1CES2CES1
SCHEMBL4294847 0.83 PTPRC (0.71) PTPRCCDC25BPTPN1CES2CES1
SCHEMBL5595963 0.82 PTPRC (0.70) PTPRCCDC25BPTPN1CES2CES1
SCHEMBL5595620 0.82 PTPRC (0.69) PTPRCCDC25BPTPN1CES2CES1
SCHEMBL5595746 0.82 PTPRC (0.69) PTPRCCDC25BPTPN1CES2CES1
SCHEMBL14439360 0.80 PTPRC (0.67) PTPRCCDC25BPTPN1CES2CES1
SCHEMBL6052754 0.80 PTPRC (0.67) PTPRCCDC25BPTPN1CES2CES1

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-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
EP-0888326-B1 NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RES FOUND (US) 2006-08-16 EP disclosed
US-6939896-B2 Naphthalenedione derivatives; treating autoimmune diseases and organ graft rejection ASTRAZENECA AB (SE) 2005-09-06 US disclosed
EP-1259231-B1 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-05-25 EP disclosed
US-20050010060-A1 Novel quinones as disease therapies SLIL BIOMEDICAL CORPORATION (US) 2005-01-13 US disclosed
US-20030119897-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-06-26 US disclosed
EP-1259231-A2 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS AstraZeneca AB (SE) 2002-11-27 EP disclosed
WO-2001045681-A2 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
US-5977187-A 4-substituted-1,2-naphthoquinones and their use in the inhibition of neoplastic cell growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-11-02 US disclosed
US-5883270-A 4-substituted-1, 2-naphthoquinones and their use in the inhibition of neoplastic cell growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-03-16 US disclosed
EP-0888326-A2 NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-01-07 EP disclosed
WO-1997031936-A2 NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1997-09-04 WO disclosed
US-4882339-A ANTIINFLAMMATORY, ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1989-11-21 US disclosed
EP-0298919-A2 4-amino-substituted 1,2-dihydroxynaphthalene derivatives CIBA-GEIGY AG (CH) 1989-01-11 EP disclosed
EP-0054230-B1 MONOAZO DYESTUFFS AND USE AS IMAGE-FORMING DYESTUFFS IN COLOUR-PHOTOGRAPHIC REGISTRATION MATERIALS Agfa-Gevaert AG (DE) 1985-03-20 EP disclosed
EP-0054230-A2 Monoazo dyestuffs and use as image-forming dyestuffs in colour-photographic registration materials Agfa-Gevaert AG (DE) 1982-06-23 EP 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 (2 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-20030119897-A1 Cd45 inhibitors PTPRC, CD2, HLA-C PTPRC 1/4885CDC25B 187/4885PTPN1 18/4885

“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.