SCHEMBL199974

SCHEMBL199974

CCCCCCc1cc(SC(C)(C)C)cc(CCCCCC)c1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.46
PTGS2 P35354 6/20 0.46
TYR P14679 2/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL199938 1.00 ALOX5 (0.46) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL199841 0.93 TYR (0.41) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL201809 0.84 PTGS2 (0.42) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL202226 0.84 PTGS2 (0.42) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL12642360 0.84 MAPT (0.50) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL199973 0.83 ALOX5 (0.37) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL199937 0.83 ALOX5 (0.37) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL9744224 0.82 PTGS2 (0.51) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL199665 0.78 GABRA1 (0.46) CYP3A4MEN1MAPTALOX15HTT
SCHEMBL2183157 0.78 ALOX5 (0.47) ALOX5PTGS2TYRCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307507-B1 NEW AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS BASF SE (DE) 2016-04-20 EP disclosed
US-8921558-B2 Azide substituted naphthylene or rylene imide derivatives and their use as reagents in click-reactions BASF SE (DE) 2014-12-30 US disclosed
US-8802852-B2 Azide substituted naphthylene or rylene imide derivatives and their use as reagents in click-reactions BASF SE (DE) 2014-08-12 US disclosed
US-20140080220-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions BASF SE (DE) 2014-03-20 US disclosed
US-20140073059-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions BASF SE (DE) 2014-03-13 US disclosed
US-8618297-B2 Azide substituted naphthylene or rylene imide derivatives and their use as reagents in click-reactions BASF SE (DE) 2013-12-31 US disclosed
US-8501948-B2 Multiple chromophores based on rylene BASF AKTIENGESELLSCHAFT (DE) 2013-08-06 US disclosed
US-20120138125-A1 FLUORESCENT SOLAR CONVERSION CELLS BASED ON FLUORESCENT TERYLENE DYES BASF SE (DE) 2012-06-07 US disclosed
US-8088922-B2 Dibenzorylenetetracarboximides as infrared absorbers BASF AKTIENGESELLSCHAFT (DE) 2012-01-03 US disclosed
US-8083971-B2 Use of rylene derivatives as active components in solar cells and photodetectors BASF SE (DE) 2011-12-27 US disclosed
EP-2307507-A2 NEW AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS BASF SE (DE) 2011-04-13 EP disclosed
US-20100207072-A1 USE OF RYLENE DERIVATIVES AS ACTIVE COMPONENTS IN SOLAR CELLS AND PHOTODETECTORS BASF SE (DE) 2010-08-19 US disclosed
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
WO-2010010198-A2 NEW AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS BASF SE (DE) 2010-01-28 WO disclosed
US-20100022021-A1 NEW AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS BASF SE (DE) 2010-01-28 US disclosed
EP-2029573-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2009-03-04 EP disclosed
US-20080287678-A1 Multiple Chromophores Based on Rylene BASF AKTIENGESELLSCHAFT (DE) 2008-11-20 US disclosed
US-20080245411-A1 Fluorescent Solar Conversion Cells Based on Fluorescent Terylene Dyes BASF SE 2008-10-09 US disclosed
US-20080167467-A1 Substituted Rylene Derivatives BASF AKTIENGESELLSCHAFT (DE) 2008-07-10 US disclosed
WO-2007138051-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2007-12-06 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 (7 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-20080167467-A1 Substituted Rylene Derivatives NR3C2, NR2C2, NR2E3 ALOX5 937/4885PTGS2 829/4885TYR 1378/4885
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 ALOX5 113/4885PTGS2 344/4885TYR 1312/4885
US-20140080220-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions NANS, NANP, GNE ALOX5 2945/4885PTGS2 4286/4885TYR 103/4885
US-20100022021-A1 NEW AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS NANS, NANP, GNE ALOX5 2707/4885PTGS2 4249/4885TYR 104/4885
US-20100207072-A1 USE OF RYLENE DERIVATIVES AS ACTIVE COMPONENTS IN SOLAR CELLS AND PHOTODETECTORS NR2E3, NR1H2, NR1H3 ALOX5 2445/4885PTGS2 1028/4885TYR 2138/4885
US-20140073059-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions NANS, NANP, GNE ALOX5 2945/4885PTGS2 4286/4885TYR 103/4885
US-20080287678-A1 Multiple Chromophores Based on Rylene TDO2, PPOX, NPY1R ALOX5 406/4885PTGS2 1464/4885TYR 86/4885

“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.