SCHEMBL199860

SCHEMBL199860

CC(C)(C)CC(C)(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.47
CYP3A4 P08684 3/20 0.42
BACE1 P56817 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HIF1A Q16665 2/20 0.38
IDH1 O75874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN1 P18031 3/20 0.38
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38
PDE4B Q07343 1/20 0.38
CYP2D6 P10635 1/20 0.38
ESR2 Q92731 1/20 0.37

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
SCHEMBL27169618 0.89 SHBG (0.41) SHBGCYP3A4BACE1SMN1; SMN2HDAC4
SCHEMBL30038339 0.89 SHBG (0.41) SHBGCYP3A4BACE1SMN1; SMN2HDAC4
SCHEMBL2596765 0.87 SHBG (0.39) SHBGCYP3A4BACE1SMN1; SMN2IDH1
SCHEMBL1129606 0.87 PTPN1 (0.55) SHBGCYP2C9HSD17B10PTPN1PTPN2
SCHEMBL27365454 0.85 PTPN1 (0.43) SHBGCYP3A4BACE1SMN1; SMN2HIF1A
SCHEMBL647965 0.83 CYP3A4 (0.49) SHBGCYP3A4BACE1SMN1; SMN2HIF1A
SCHEMBL29538101 0.83 CYP3A4 (0.49) SHBGCYP3A4BACE1SMN1; SMN2HIF1A
Zinc Ion SCHEMBL7088082 0.83 PTPN1 (0.42) SHBGCYP3A4SMN1; SMN2HDAC4HDAC2
SCHEMBL199858 0.83 SMN1; SMN2 (0.39) SHBGCYP3A4BACE1SMN1; SMN2ALDH1A1
SCHEMBL13030049 0.82 IDH1 (0.38) SHBGCYP3A4SMN1; SMN2HIF1AIDH1

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 14 patents. 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-2718395-A1 NOVEL COLOR CONVERTER BASF SE (DE) 2014-04-16 EP disclosed
US-8501948-B2 Multiple chromophores based on rylene BASF AKTIENGESELLSCHAFT (DE) 2013-08-06 US disclosed
WO-2012168395-A1 NOVEL COLOR CONVERTER BASF SE (DE) 2012-12-13 WO 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-8071775-B2 photovoltaics; emitters in chemiluminescence applications; field-effect transistors and electrophotography; N,N'-Bis(2,6-diisopropylphenyl)-1,7- and -1,6-bis(2,6-diisopropylphenoxy)-perylene-3,4:9,10-tetracarboximide BASF AKTIENGESELLSCHAFT (DE) 2011-12-06 US disclosed
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2010-02-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 SHBG 572/4885CYP3A4 320/4885BACE1 4387/4885
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 SHBG 564/4885CYP3A4 54/4885BACE1 1904/4885
US-20080287678-A1 Multiple Chromophores Based on Rylene TDO2, PPOX, NPY1R SHBG 921/4885CYP3A4 189/4885BACE1 4681/4885

“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.