SCHEMBL198596

SCHEMBL198596

CCCCCCCCCCCCCCCCCCCCSCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.54
THRB P10828 2/20 0.54
HSD17B10 Q99714 2/20 0.54
GMNN O75496 1/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
BLM P54132 1/20 0.54
TSHR P16473 2/20 0.53
CA2 P00918 1/20 0.52
FAAH O00519 4/20 0.46
CES1 P23141 4/20 0.46
PLA2G6 O60733 1/20 0.46
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
PRKD3 O94806 2/20 0.42
PRKCG P05129 2/20 0.42
PRKCB P05771 2/20 0.42
PRKCA P17252 2/20 0.42

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
SCHEMBL200628 1.00 CES2 (0.54) CES2THRBHSD17B10GMNNTP53
SCHEMBL9862442 1.00 CES2 (0.54) CES2THRBHSD17B10GMNNTP53
SCHEMBL199887 1.00 CES2 (0.54) CES2THRBHSD17B10GMNNTP53
SCHEMBL198802 1.00 CES2 (0.54) CES2THRBHSD17B10GMNNTP53
Dioctylsulfane SCHEMBL1358875 1.00 CES2 (0.54) CES2THRBHSD17B10GMNNTP53
SCHEMBL23034315 1.00 CES2 (0.54) CES2THRBHSD17B10GMNNTP53
SCHEMBL9231864 1.00 CES2 (0.54) CES2THRBHSD17B10GMNNTP53
SCHEMBL7153602 1.00 CES2 (0.54) CES2THRBHSD17B10GMNNTP53
SCHEMBL200096 1.00 CES2 (0.54) CES2THRBHSD17B10GMNNTP53
SCHEMBL201823 1.00 CES2 (0.54) CES2THRBHSD17B10GMNNTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010111822-A1 OLIGOCONDENSED PERYLENE BISIMIDES BASF SE (DE) 2010-10-07 WO disclosed
WO-2010112452-A1 OLIGOCONDENSED PERYLENE BISIMIDES BASF SE (DE) 2010-10-07 WO 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 (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-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 CES2 1521/4885THRB 1203/4885HSD17B10 63/4885
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF TPR, ROR1, CA3 CES2 3096/4885THRB 2991/4885HSD17B10 3417/4885

“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.