SCHEMBL199898

SCHEMBL199898

CCCCCCCCCCCCCCCCCCC[CH]SCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 2/20 0.40
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
DNM1 Q05193 3/20 0.38
CES2 O00748 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
BLM P54132 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EP300 Q09472 1/20 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
SCHEMBL201679 1.00 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL198973 1.00 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL198894 1.00 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL200789 1.00 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL198438 1.00 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL198857 1.00 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL199163 1.00 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL201659 1.00 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL199143 1.00 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL201272 1.00 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1

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 TSHR 1062/4885THRB 1203/4885FAAH 586/4885
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF TPR, ROR1, CA3 TSHR 1618/4885THRB 2991/4885FAAH 3869/4885

“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.