SCHEMBL201608

SCHEMBL201608

Cc1cc(C(C)(C)C)cc(C)c1[O]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
HTR1D P28221 5/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
HTR1B P28222 3/20 0.40
TSHR P16473 3/20 0.39
RXRB P28702 4/20 0.38
ALDH1A1 P00352 3/20 0.36
RXRA P19793 3/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 1/20 0.35
RXRG P48443 1/20 0.34
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL4391144 0.87 POLB (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL1171494 0.77 GABRA1 (0.43) POLBHTR1DGABRA1GABRB2TSHR
SCHEMBL8664743 0.75 POLB (0.57) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL18786514 0.74 POLB (0.44) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL93161 0.73 GABRA1 (0.69) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL1887027 0.73 GABRA1 (0.52) POLBHTR1DGABRA1GABRB2TSHR
SCHEMBL27974117 0.73 POLB (0.55) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL200255 0.72 SHBG (0.43) TSHRALDH1A1LMNATP53CYP2D6
SCHEMBL6322861 0.72 HIF1A (0.41) POLBHTR1DGABRA1GABRB2TSHR
SCHEMBL6321690 0.72 GABRA1 (0.40) POLBHTR1DGABRA1GABRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10230023-B2 Color converter BASF SE (DE) 2019-03-12 US disclosed
EP-2718395-B1 Novel illumination device comprising a colour converter BASF SE (DE) 2018-02-28 EP disclosed
US-20160284947-A1 NOVEL COLOR CONVERTER BASF SE (DE) 2016-09-29 US disclosed
US-9406848-B2 Color converter BASF SE (DE) 2016-08-02 US disclosed
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
EP-2718395-A1 NOVEL COLOR CONVERTER BASF SE (DE) 2014-04-16 EP 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-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
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US 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
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 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 (8 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 POLB 3758/4885HTR1D 1285/4885GABRA1 994/4885
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 POLB 3004/4885HTR1D 1272/4885GABRA1 1449/4885
US-20140080220-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions NANS, NANP, GNE POLB 3668/4885HTR1D 2327/4885GABRA1 3121/4885
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 POLB 3906/4885HTR1D 736/4885GABRA1 514/4885
US-20100022021-A1 NEW AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS NANS, NANP, GNE POLB 3923/4885HTR1D 2674/4885GABRA1 3250/4885
US-20100207072-A1 USE OF RYLENE DERIVATIVES AS ACTIVE COMPONENTS IN SOLAR CELLS AND PHOTODETECTORS NR2E3, NR1H2, NR1H3 POLB 2927/4885HTR1D 1377/4885GABRA1 2610/4885
US-20140073059-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions NANS, NANP, GNE POLB 3668/4885HTR1D 2327/4885GABRA1 3121/4885
US-20080287678-A1 Multiple Chromophores Based on Rylene TDO2, PPOX, NPY1R POLB 3030/4885HTR1D 1898/4885GABRA1 2209/4885

“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.