SCHEMBL13009255

SCHEMBL13009255

O=C1OC(=O)c2ccc3c4ccc5c6ccc7c8c(ccc(c9ccc(c%10ccc1c2c%103)c4c95)c86)C(=O)OC7=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.52
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
BCL2 P10415 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TERT O14746 4/20 0.37
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
STAT3 P40763 1/20 0.35
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CDC25C P30307 1/20 0.34

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
SCHEMBL30606666 1.00 TYMS (0.52) TYMSALOX15TDP1BCL2MEN1
SCHEMBL36626 1.00 TYMS (0.52) TYMSALOX15TDP1BCL2MEN1
SCHEMBL31185814 1.00 TYMS (0.52) TYMSALOX15TDP1BCL2MEN1
SCHEMBL29349446 1.00 TYMS (0.52) TYMSALOX15TDP1BCL2MEN1
SCHEMBL148025 0.89 TYMS (0.62) TYMSALOX15TDP1MEN1POLB
SCHEMBL12680819 0.87 TYMS (0.43) TYMSALOX15TDP1BCL2MEN1
SCHEMBL13602782 0.87 TYMS (0.43) TYMSALOX15TDP1BCL2MEN1
SCHEMBL22142591 0.87 TYMS (0.43) TYMSALOX15TDP1BCL2MEN1
SCHEMBL30904850 0.87 TYMS (0.63) TYMSALOX15TDP1MEN1POLB
SCHEMBL1189046 0.87 TYMS (0.63) TYMSALOX15TDP1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569500-B2 Terrylene and quaterrylene derivatives BASF AKTIENGESELLSCHAFT (DE) 2013-10-29 US disclosed
US-20100317876-A1 TERRYLENE AND QUATERRYLENE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-7795431-B2 such as N-(2,6-Diisopropylphenyl)-1,6,9,14-tetra[4-(1,1,3,3-tetramethylbutyl)phenoxy]terrylene-3, 4:11,12-tetracarboxylic monoimide monoanhydride, used as dyes, as infrared absorbers, as semiconductors in organic electronics, emitters in electro- and chemiluminescence applications and in photovoltaics BASF AKTIENGESELLSCHAFT (DE) 2010-09-14 US disclosed
US-20080255357-A1 Terrylene and Quaterrylene Derivatives BASF AKTIENGESELLSCHAFT (DE) 2008-10-16 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 (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-20080255357-A1 Terrylene and Quaterrylene Derivatives GSTO1, TXN, XPA TYMS 3248/4885ALOX15 168/4885TDP1 3861/4885
US-20100317876-A1 TERRYLENE AND QUATERRYLENE DERIVATIVES GSTO1, TXN, XPA TYMS 3248/4885ALOX15 168/4885TDP1 3861/4885

“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.