SCHEMBL200081

SCHEMBL200081

[CH2]CCc1c(CCCC)cccc1CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TYR P14679 1/20 0.37
KCNH2 Q12809 2/20 0.35

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
SCHEMBL198270 0.94 LIPG (0.47) LIPGALOX5PTGS2BIDMCL1
SCHEMBL200131 0.92 LIPG (0.50) LIPGALOX5PTGS2BIDMCL1
SCHEMBL199953 0.92 LIPG (0.50) LIPGALOX5PTGS2BIDMCL1
SCHEMBL200114 0.92 LIPG (0.50) LIPGALOX5PTGS2BIDMCL1
SCHEMBL200077 0.92 LIPG (0.50) LIPGALOX5PTGS2BIDMCL1
SCHEMBL200152 0.92 LIPG (0.50) LIPGALOX5PTGS2BIDMCL1
SCHEMBL200540 0.92 LIPG (0.50) LIPGALOX5PTGS2BIDMCL1
SCHEMBL199697 0.92 LIPG (0.50) LIPGALOX5PTGS2BIDMCL1
SCHEMBL200360 0.92 LIPG (0.50) LIPGALOX5PTGS2BIDMCL1
SCHEMBL201312 0.92 LIPG (0.50) LIPGALOX5PTGS2BIDMCL1

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
CN-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 CN disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
CN-105764885-A Acid- and radical-generating agent and method for generating acid and radical 和光纯药工业株式会社 2016-07-13 CN disclosed
US-8481736-B2 Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof BASF SE (DE) 2013-07-09 US disclosed
US-8088922-B2 Dibenzorylenetetracarboximides as infrared absorbers BASF AKTIENGESELLSCHAFT (DE) 2012-01-03 US disclosed
EP-2029573-B1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2011-10-26 EP disclosed
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2011-02-24 US disclosed
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
EP-2029573-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2009-03-04 EP disclosed
EP-2008319-A2 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2008-12-31 EP disclosed
WO-2007138051-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2007-12-06 WO disclosed
WO-2007116001-A2 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2007-10-18 WO disclosed
EP-1843407-A1 Liquid crystalline rylenetetracarboxylic acid derivatives and their use BASF AKTIENGESELLSCHAFT (DE) 2007-10-10 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 (4 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-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 LIPG 3346/4885ALOX5 113/4885PTGS2 344/4885
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF TPR, ROR1, CA3 LIPG 3218/4885ALOX5 667/4885PTGS2 3500/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 LIPG 3948/4885ALOX5 122/4885PTGS2 654/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 LIPG 3948/4885ALOX5 122/4885PTGS2 654/4885

“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.