SCHEMBL86747

SCHEMBL86747

O=C1COc2c1ccc1ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.54
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
PSMB5 P28074 1/20 0.49
HTR2C P28335 3/20 0.45
HTR2A P28223 2/20 0.45
PARP1 P09874 1/20 0.44
HCRTR1 O43613 1/20 0.42
DNMT1 P26358 1/20 0.42
PAX8 Q06710 1/20 0.39
CYP2A6 P11509 1/20 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
SCHEMBL86802 0.82 CYP19A1 (0.51) CYP19A1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL14259741 0.80 CYP19A1 (0.49) CYP19A1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL29817387 0.80 ALDH1A1 (0.44) CYP19A1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL18533243 0.78 CYP19A1 (0.40) CYP19A1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL6453627 0.76 MAOA (0.46) CYP19A1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL31121806 0.76 PSMB5 (0.44) CYP19A1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL31121807 0.76 PSMB5 (0.44) CYP19A1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL14259740 0.76 CYP19A1 (0.56) CYP19A1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL12852220 0.75 CYP19A1 (0.51) CYP19A1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL1792548 0.75 CYP19A1 (0.44) CYP19A1ALDH1A1KDM4EMAPTHSD17B10

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 42 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-2682272-B1 INK JET RECORDING METHOD AND PRINTED MATERIAL FUJIFILM CORP (JP) 2015-08-26 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
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-1888018-A1 AGENTS FOR DYEING KERATIN-BASED FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2008-02-20 EP disclosed
US-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-09-27 US disclosed
US-7235569-B2 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH (US) 2007-06-26 US disclosed
WO-2006119818-A1 AGENTS FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 WO disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 US disclosed
WO-1992019589-A2 LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-11-12 WO disclosed
US-5140047-A Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION (US) 1992-08-18 US 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-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE TPH1, TPH2, HTR3A CYP19A1 2741/4885ALDH1A1 955/4885KDM4E 2096/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 CYP19A1 2520/4885ALDH1A1 909/4885KDM4E 2124/4885

“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.