SCHEMBL86802

SCHEMBL86802

O=C1CCOc2c1ccc1ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.51
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HCRTR1 O43613 1/20 0.43
HTR2C P28335 3/20 0.43
HTR2A P28223 2/20 0.43
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM5 P41594 5/20 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
SCHEMBL1792548 0.92 CYP19A1 (0.44) CYP19A1KDM4EALDH1A1MAPTMEN1
SCHEMBL14259741 0.90 CYP19A1 (0.49) CYP19A1KDM4EALDH1A1MAPTMEN1
SCHEMBL5188734 0.89 CYP19A1 (0.44) CYP19A1KDM4EALDH1A1MAPTMEN1
SCHEMBL86747 0.82 CYP19A1 (0.54) CYP19A1KDM4EALDH1A1MAPTMEN1
SCHEMBL28490225 0.76 MAOB (0.40) CYP19A1KDM4EALDH1A1MAPTMEN1
SCHEMBL28522392 0.73 MAOB (0.41) ALDH1A1HPGDNPC1RAB9AGRM5
SCHEMBL14259740 0.73 CYP19A1 (0.56) CYP19A1KDM4EALDH1A1MAPTMEN1
SCHEMBL14259742 0.73 HTR2C (0.41) CYP19A1KDM4EALDH1A1MAPTMEN1
SCHEMBL86076 0.72 CYP19A1 (0.50) CYP19A1KDM4EALDH1A1MAPTHPGD
SCHEMBL12852220 0.72 CYP19A1 (0.51) CYP19A1KDM4EALDH1A1MAPTMEN1

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
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-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP 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-8168263-B2 Photo-curable composition, ink composition, and inkjet recording method using the ink composition FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed
US-8168263-B2 Photo-curable composition, ink composition, and inkjet recording method using the ink composition FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8110253-B2 Ink composition FUJIFILM CORPORATION (JP) 2012-02-07 US disclosed
EP-2042573-A1 Ink composition 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
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
EP-1117656-B1 GREY COLOURING PHOTOCHROMIC FUSED PYRANS JAMES ROBINSON LTD (GB) 2002-05-29 EP disclosed
EP-1117656-A1 GREY COLOURING PHOTOCHROMIC FUSED PYRANS JAMES ROBINSON LIMITED (GB) 2001-07-25 EP disclosed
WO-2000018755-A1 GREY COLOURING PHOTOCHROMIC FUSED PYRANS JAMES ROBINSON LIMITED (GB) 2000-04-06 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-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE CYP19A1 2704/4885KDM4E 1618/4885ALDH1A1 2788/4885

“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.