SCHEMBL86798

SCHEMBL86798

O=C1CCSc2cc3c(cc21)oc1ccccc13

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 1/20 0.46
VHL P40337 1/20 0.45
ELOC Q15369 1/20 0.45
ELOB Q15370 1/20 0.45
CYP1A2 P05177 1/20 0.43
AHR P35869 2/20 0.42
MAOA P21397 5/20 0.42
MAPT P10636 5/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CASP1 P29466 2/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
PGAM1 P18669 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 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
SCHEMBL87204 0.85 AHR (0.45) KDM4EALDH1A1CYP1A2AHRMAOA
SCHEMBL86229 0.75 GRM5 (0.47) KDM4EALDH1A1HTTCYP1A2AHR
SCHEMBL86220 0.73 ALDH1A1 (0.47) KDM4EALDH1A1HTTVHLELOC
SCHEMBL86216 0.73 VHL (0.54) KDM4EALDH1A1HTTVHLELOC
SCHEMBL17433225 0.69 AHR (0.65) KDM4EALDH1A1CYP1A2AHRMAOA
SCHEMBL571563 0.69 AHR (0.71) KDM4EALDH1A1CYP1A2AHRMAOA
SCHEMBL16919496 0.69 AHR (0.71) KDM4EALDH1A1CYP1A2AHRMAOA
SCHEMBL29414923 0.68 VHL (0.56) KDM4EALDH1A1HTTVHLELOC
SCHEMBL7417 0.68 VHL (0.56) KDM4EALDH1A1HTTVHLELOC
SCHEMBL86366 0.68 ALDH1A1 (0.47) KDM4EALDH1A1HTTVHLELOC

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2192163-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2017-04-19 EP disclosed
EP-2053095-B2 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2017-02-22 EP disclosed
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
EP-2682272-B1 INK JET RECORDING METHOD AND PRINTED MATERIAL FUJIFILM CORP (JP) 2015-08-26 EP disclosed
EP-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP disclosed
US-8557889-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-10-15 US disclosed
US-8557889-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-10-15 US disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090087576-A1 INK COMPOSITION FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
EP-2042573-A1 Ink composition FUJIFILM Corporation (JP) 2009-04-01 EP disclosed
EP-2042563-A1 Photocurable coating composition, and overprint and process for producing same FUJIFILM Corporation (JP) 2009-04-01 EP disclosed
US-20090081421-A1 PHOTOCURABLE COATING COMPOSITION, AND OVERPRINT AND PROCESS FOR PRODUCING SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20090081421-A1 PHOTOCURABLE COATING COMPOSITION, AND OVERPRINT AND PROCESS FOR PRODUCING SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20080182031-A1 Sensitizing dye, an alpha-aminoketone or acyl phosphine oxide polymerization initiator and an ethylenically unsaturated bond-containing polymerizable compound FUJIFILM CORPORATION (JP) 2008-07-31 US disclosed
US-20080182031-A1 Sensitizing dye, an alpha-aminoketone or acyl phosphine oxide polymerization initiator and an ethylenically unsaturated bond-containing polymerizable compound FUJIFILM CORPORATION (JP) 2008-07-31 US disclosed
EP-1944173-A1 Ink composition and inkjet recording method using the same FUJIFILM Corporation (JP) 2008-07-16 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 (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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 KDM4E 679/4885ALDH1A1 440/4885HTT 3488/4885

“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.