SCHEMBL9968959

SCHEMBL9968959

Cc1ccc2c3ccc4c5ccc6c7c(ccc(c8ccc(c9cccc1c92)c3c84)c75)C(=O)N(C)C6=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
USP2 O75604 2/20 0.53
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
ATM Q13315 1/20 0.53
POLB P06746 1/20 0.50
PRMT1 Q99873 1/20 0.50
MAPT P10636 2/20 0.46
PABPC1 P11940 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TERT O14746 4/20 0.44
STAT3 P40763 1/20 0.42
HIF1A Q16665 1/20 0.42
TYMS P04818 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL12856931 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL12111266 0.97 MEN1 (0.50) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL12111263 0.97 MEN1 (0.50) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL9968960 0.88 KMT2A (0.67) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL12869514 0.88 KMT2A (0.57) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL9968961 0.86 TERT (0.49) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL12869518 0.85 KMT2A (0.63) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL12170761 0.84 TERT (0.56) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL9968958 0.84 TERT (0.56) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL710594 0.84 TERT (0.56) MEN1KMT2AALDH1A1USP2KEAP1

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 11 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-8501046-B2 Use of rylene derivatives as photosensitizers in solar cells BASF SE (DE) 2013-08-06 US disclosed
US-8399669-B2 Tri- and tetrasubstituted pentarylenetetracarboximides BASF SE (DE) 2013-03-19 US disclosed
US-20120283432-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS MAX-PLANCK-GESEL. ZUR FOERDERUNG DER WISSEN. E.V. (DE) 2012-11-08 US disclosed
US-8202994-B2 Pentarylene- and hexarylenetetracarboximides and preparation thereof BASF AKTIENGESELLSCHAFT (DE) 2012-06-19 US disclosed
US-8052899-B2 Heptarylene-and octarylenetetracarboximides and preparation thereof BASF AKTIENGESELLSCHAFT (DE) 2011-11-08 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-20100072438-A1 HEPTARYLENE-AND OCTARYLENETETRACARBOXIMIDES AND PREPARATION THEREOF BASF SE (DE) 2010-03-25 US disclosed
US-20100059716-A1 PENTARYLENE-AND HEXARYLENETETRACARBOXIMIDES AND PREPARATION THEREOF BASF SE (DE) 2010-03-11 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 (5 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-20100072438-A1 HEPTARYLENE-AND OCTARYLENETETRACARBOXIMIDES AND PREPARATION THEREOF CYP4A22, CYP2C9, CYP4F11 MEN1 685/4885KMT2A 4211/4885ALDH1A1 691/4885
US-20100059716-A1 PENTARYLENE-AND HEXARYLENETETRACARBOXIMIDES AND PREPARATION THEREOF CYP2C9, PNPO, CYP3A43 MEN1 1512/4885KMT2A 3106/4885ALDH1A1 532/4885
US-20120283432-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS NR2E3, NR2E1, NR1D2 MEN1 1359/4885KMT2A 908/4885ALDH1A1 4248/4885
US-20080255357-A1 Terrylene and Quaterrylene Derivatives GSTO1, TXN, XPA MEN1 1027/4885KMT2A 2482/4885ALDH1A1 2389/4885
US-20100317876-A1 TERRYLENE AND QUATERRYLENE DERIVATIVES GSTO1, TXN, XPA MEN1 1027/4885KMT2A 2482/4885ALDH1A1 2389/4885

“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.