SCHEMBL402886

SCHEMBL402886

CCCCCCCCCCCC=CC=Cc1c(O)cccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.48
F3 P13726 3/20 0.48
MMP2 P08253 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 1/20 0.48
ECE1 P42892 1/20 0.48
SGMS1 Q86VZ5 1/20 0.48
SGMS2 Q8NHU3 1/20 0.48
MUS81 Q96NY9 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
BID P55957 3/20 0.45
BCL2L1 Q07817 3/20 0.45
MCL1 Q07820 3/20 0.45
BAK1 Q16611 3/20 0.45
FASN P49327 1/20 0.44
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL904356 0.98 F7 (0.47) F7F3MMP2MAPTKDM4E
SCHEMBL28810978 0.88 F7 (0.51) F7F3MMP2MAPTKDM4E
SCHEMBL28947595 0.88 F7 (0.51) F7F3MMP2MAPTKDM4E
SCHEMBL31546012 0.88 F7 (0.51) F7F3MMP2MAPTKDM4E
SCHEMBL31545331 0.88 F7 (0.51) F7F3MMP2MAPTKDM4E
SCHEMBL4728582 0.86 SLC37A4 (0.45) F7F3MMP2MAPTKDM4E
SCHEMBL3409006 0.85 F7 (0.52) F7F3MMP2MAPTKDM4E
SCHEMBL2468060 0.85 F7 (0.52) F7F3MMP2MAPTKDM4E
SCHEMBL29062537 0.84 EP300 (0.40) F7F3MMP2MAPTKDM4E
SCHEMBL4797367 0.83 F7 (0.43) F7F3MMP2MAPTKDM4E

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
EP-2389415-B1 METHOD FOR REJUVENATING A BITUMEN CONTAINING COMPOSITION WEEZENBEEK INTERNAT B V VAN (NL) 2014-08-13 EP claimed
US-20090032162-A1 BELT ASSEMBLIES AND PNEUMATIC TIRES INCLUDING THE SAME BRIDGESTONE CORPORATION (JP) 2009-02-05 US claimed
EP-1723187-B1 HYDROPHOBIC LOW-VISCOUS POLYOLS BAYER MATERIALSCIENCE AG (DE) 2007-12-19 EP claimed
EP-1723187-A1 HYDROPHOBIC LOW-VISCOUS POLYOLS Bayer MaterialScience AG (DE) 2006-11-22 EP claimed
WO-2005082967-A1 HYDROPHOBIC LOW-VISCOUS POLYOLS BAYER MATERIALSCIENCE AG (DE) 2005-09-09 WO claimed
EP-2389415-B1 METHOD FOR REJUVENATING A BITUMEN CONTAINING COMPOSITION WEEZENBEEK INTERNAT B V VAN (NL) 2014-08-13 EP disclosed
US-8702857-B2 Method for rejuvenating a bitumen containing composition VAN WEEZENBEEK SPECIALTIES B.V. (NL) 2014-04-22 US disclosed
EP-2411432-A1 METHOD FOR REJUVENATING A BITUMEN CONTAINING COMPOSITION Van Weezenbeek Specialties BV (NL) 2012-02-01 EP disclosed
US-20120017804-A1 METHOD FOR REJUVENATING A BITUMEN CONTAINING COMPOSITION VAN WEEZENBEEK SPECIALTIES BV (NL) 2012-01-26 US disclosed
EP-2389415-A1 METHOD FOR REJUVENATING A BITUMEN CONTAINING COMPOSITION Van Weezenbeek Specialties BV (NL) 2011-11-30 EP disclosed
US-20110257122-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS PHARMASSET, INC. (US) 2011-10-20 US disclosed
US-20110054087-A1 Flame-Retardant cyanate esters CHOPDEKAR VILAS M 2011-03-03 US disclosed
WO-2010110651-A1 METHOD FOR REJUVENATING A BITUMEN CONTAINING COMPOSITION VAN WEEZENBEEK SPECIALTIES B.V. (NL) 2010-09-30 WO disclosed
WO-2010085140-A1 METHOD FOR REJUVENATING A BITUMEN CONTAINING COMPOSITION VAN WEEZENBEEK SPECIALTIES BV (NL) 2010-07-29 WO disclosed
US-20090032162-A1 BELT ASSEMBLIES AND PNEUMATIC TIRES INCLUDING THE SAME BRIDGESTONE CORPORATION (JP) 2009-02-05 US disclosed
EP-1723187-B1 HYDROPHOBIC LOW-VISCOUS POLYOLS BAYER MATERIALSCIENCE AG (DE) 2007-12-19 EP disclosed
EP-1723187-A1 HYDROPHOBIC LOW-VISCOUS POLYOLS Bayer MaterialScience AG (DE) 2006-11-22 EP disclosed
WO-2005082967-A1 HYDROPHOBIC LOW-VISCOUS POLYOLS BAYER MATERIALSCIENCE AG (DE) 2005-09-09 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 (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-20110257122-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS PNP, NUDT1, TYMP F7 1509/4885F3 3265/4885MMP2 1636/4885
US-20110054087-A1 Flame-Retardant cyanate esters PCCA, PF4, POLL F7 311/4885F3 1150/4885MMP2 3528/4885

“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.