SCHEMBL6231632

SCHEMBL6231632

COC(=O)c1ccc2c(c1)C=CC(=O)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 6/20 1.00
CASP3 P42574 1/20 0.47
CA9 Q16790 4/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 3/20 0.46
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
SETD7 Q8WTS6 1/20 0.45
PTPN1 P18031 2/20 0.44
PTPRF P10586 1/20 0.44
CDC25B P30305 1/20 0.44
PDK2 Q15119 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
ATM Q13315 2/20 0.42

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
SCHEMBL27352636 0.80 PTPRC (0.67) PTPRCCASP3CA9CA1CA2
SCHEMBL9560733 0.80 PTPRC (0.66) PTPRCCASP3CA9CA1CA2
SCHEMBL9295482 0.77 PTPRC (0.62) PTPRCCA9CA1CA2CA12
SCHEMBL9769488 0.75 PTPRC (0.60) PTPRCCASP3CA9CA1CA2
SCHEMBL13550874 0.75 PTPRC (0.60) PTPRCCASP3CA9CA1CA2
SCHEMBL11846453 0.75 PTPRC (0.60) PTPRCCASP3CA9CA1CA2
SCHEMBL9769408 0.75 PTPRC (0.60) PTPRCCASP3CA9CA1CA2
SCHEMBL23529899 0.75 PTPRC (0.60) PTPRCCASP3CA9CA1CA2
SCHEMBL6236495 0.74 PTPRC (1.00) PTPRCPTPN1PDK2ALDH1A1KDM4E
SCHEMBL68289 0.73 CA1 (0.61) PTPRCCASP3CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939896-B2 Naphthalenedione derivatives; treating autoimmune diseases and organ graft rejection ASTRAZENECA AB (SE) 2005-09-06 US claimed
EP-1259231-B1 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-05-25 EP claimed
US-20030119897-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-06-26 US claimed
EP-1259231-A2 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS AstraZeneca AB (SE) 2002-11-27 EP claimed
WO-2001045681-A2 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 WO claimed
US-20180311356-A1 METHOD TO INHIBIT ENDOTHELIAL-TO-MESENCHYMAL TRANSITION THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2018-11-01 US disclosed
WO-2017070194-A1 METHOD TO INHIBIT ENDOTHELIAL-TO-MESENCHYMAL TRANSITION THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-04-27 WO 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-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

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-20030119897-A1 Cd45 inhibitors PTPRC, CD2, HLA-C PTPRC 1/4885CASP3 1519/4885CA9 1552/4885

“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.