SCHEMBL2332225

SCHEMBL2332225

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PLA2G1B P04054 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
RXRA P19793 4/20 0.43
RXRB P28702 4/20 0.43
METAP2 P50579 1/20 0.39
RXRG P48443 2/20 0.39
BACE1 P56817 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
GRIN2C Q14957 1/20 0.36

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
SCHEMBL6320031 0.90 NPC1 (0.42) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL199858 0.80 SMN1; SMN2 (0.39) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL200188 0.79 BACE1 (0.49) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL15853187 0.79 NPC1 (0.41) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL22139797 0.79 NPC1 (0.41) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL23172827 0.79 POLB (0.45) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL24385324 0.79 NPC1 (0.41) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL28387975 0.79 NPC1 (0.41) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL30959695 0.78 RXRA (0.42) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL8900064 0.78 BACE1 (0.47) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917311-B1 Rylene based multiple chromophores BASF SE (DE) 2015-09-23 EP 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-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
EP-2029573-B1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2011-10-26 EP disclosed
EP-1904497-B1 SUBSTITUTED RYLENE DERIVATIVES BASF SE (DE) 2011-08-17 EP 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
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-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 NPC1 3867/4885ALDH1A1 3009/4885PLA2G1B 4212/4885
US-20080287678-A1 Multiple Chromophores Based on Rylene TDO2, PPOX, NPY1R NPC1 4448/4885ALDH1A1 1996/4885PLA2G1B 3681/4885

“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.