SCHEMBL3895763

SCHEMBL3895763

CCCCCC(=O)OC1=CC(=O)C(=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLM Q9NP87 2/20 0.54
POLK Q9UBT6 2/20 0.54
POLL Q9UGP5 2/20 0.54
POLH Q9Y253 2/20 0.54
PTPRC P08575 2/20 0.54
CDC25B P30305 1/20 0.54
PTPN1 P18031 4/20 0.50
APAF1 O14727 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
SOAT1 P35610 3/20 0.43
S100A4 P26447 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 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
SCHEMBL28353710 0.80 POLM (0.48) POLMPOLKPOLLPOLHKDM4E
SCHEMBL28084879 0.79 POLM (0.50) POLMPOLKPOLLPOLHKMT2A
SCHEMBL30529677 0.78 POLM (0.54) POLMPOLKPOLLPOLHPTPRC
SCHEMBL26781784 0.78 POLM (0.54) POLMPOLKPOLLPOLHPTPRC
SCHEMBL4294847 0.78 PTPRC (0.71) PTPRCCDC25BPTPN1APAF1ALDH1A1
SCHEMBL5595620 0.77 PTPRC (0.69) PTPRCCDC25BPTPN1APAF1ALDH1A1
SCHEMBL5595746 0.77 PTPRC (0.69) PTPRCCDC25BPTPN1APAF1ALDH1A1
SCHEMBL14315096 0.76 POLM (0.66) POLMPOLKPOLLPOLHKDM4E
SCHEMBL14439324 0.76 PTPN1 (0.62) PTPRCCDC25BPTPN1ALDH1A1KDM4E
SCHEMBL10407328 0.75 KDM4E (0.68) POLMPOLKPOLLPOLHKDM4E

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
EP-1420777-A4 PHARMACEUTICAL COMPOSITIONS CONTAINING BETA-LAPACHONE, OR DERIVATIVES OR ANALOGS THEREOF, AND METHODS OF USING SAME ARQULE INC (US) 2009-03-04 EP disclosed
US-7074824-B2 Pharmaceutical compositions containing beta-lapachone, or derivatives or analogs thereof, and methods of using same ARQULE, INC. (US) 2006-07-11 US disclosed
US-20050245599-A1 Pharmaceutical compositions containing beta-lapachone, or derivatives or analogs thereof, and methods of using same ARQULE, INC. 2005-11-03 US disclosed
EP-1420777-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING BETA-LAPACHONE, OR DERIVATIVES OR ANALOGS THEREOF, AND METHODS OF USING SAME ARQULE, INC. (US) 2004-05-26 EP disclosed
US-20040071775-A1 Pharmaceutical compositions containing beta-lapachone, or derivatives or analogs thereof, and methods of using same ARQULE, INC. 2004-04-15 US disclosed
WO-2003011224-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING BETA-LAPACHONE, OR DERIVATIVES OR ANALOGS THEREOF, AND METHODS OF USING SAME ARQULE, INC. (US) 2003-02-13 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 (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-20050245599-A1 Pharmaceutical compositions containing beta-lapachone, or derivatives or analogs thereof, and methods of using same LIPA, SQLE, LPXN POLM 2807/4885POLK 1570/4885POLL 2610/4885
US-20040071775-A1 Pharmaceutical compositions containing beta-lapachone, or derivatives or analogs thereof, and methods of using same LIPA, LSS, SQLE POLM 2861/4885POLK 1869/4885POLL 2857/4885

“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.