SCHEMBL200138

SCHEMBL200138

CCCCc1cc(C(C)C)c(O)c(C(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.60
GABRB1 P18505 5/20 0.60
GABRB2 P47870 3/20 0.60
GABRA5 P31644 2/20 0.60
GABRA3 P34903 2/20 0.60
GABRA2 P47869 2/20 0.60
GABRA4 P48169 2/20 0.60
GABRA6 Q16445 2/20 0.60
GSR P00390 1/20 0.53
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
PTGS2 P35354 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 1/20 0.44

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
SCHEMBL202072 0.92 PTGS2 (0.58) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL200322 0.92 PTGS2 (0.58) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL11795599 0.89 GABRA1 (0.50) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL13057520 0.88 GSR (0.57) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL19130514 0.85 GABRA1 (0.47) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL31276244 0.85 GABRA1 (0.50) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL202146 0.85 NPC1 (0.48) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL11799626 0.84 PTGS2 (0.50) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL200585 0.83 NPC1 (0.47) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9195024 0.83 GABRA1 (0.51) GABRA1GABRB1GABRB2GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106433820-A Multifunctional methanol fuel 广西东奇能源技术有限公司 2017-02-22 CN claimed
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
EP-1917311-B1 Rylene based multiple chromophores BASF SE (DE) 2015-09-23 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-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
EP-1927141-A2 FLUORESCENT SOLAR CONVERSION CELLS BASED ON FLUORESCENT TERYLENE DYES BASF SE (DE) 2008-06-04 EP disclosed
EP-1917311-A2 MULTIPLE CHROMOPHORES BASF SE (DE) 2008-05-07 EP disclosed
EP-1904497-A1 SUBSTITUTED RYLENE DERIVATIVES BASF SE (DE) 2008-04-02 EP disclosed
WO-2007138051-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2007-12-06 WO disclosed
WO-2007031446-A2 FLUORESCENT SOLAR CONVERSION CELLS BASED ON FLUORESCENT TERYLENE DYES BASF SE (DE) 2007-03-22 WO disclosed
WO-2007014902-A2 MULTIPLE CHROMOPHORES BASED ON RYLENE BASF SE (DE) 2007-02-08 WO disclosed
WO-2007006717-A1 SUBSTITUTED RYLENE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2007-01-18 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 (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-20080167467-A1 Substituted Rylene Derivatives NR3C2, NR2C2, NR2E3 GABRA1 994/4885GABRB1 913/4885GABRB2 594/4885
US-20080287678-A1 Multiple Chromophores Based on Rylene TDO2, PPOX, NPY1R GABRA1 2209/4885GABRB1 2271/4885GABRB2 2196/4885

“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.