SCHEMBL12748802

SCHEMBL12748802

O=C1c2c(F)c(F)c3c4c(F)c(F)c5c6c(c(F)c(F)c(c7c(F)c(F)c(c2c37)C(=O)N1c1ccccc1)c64)C(=O)N(c1ccccc1)C5=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA1A P0DMV8 1/20 0.46
PABPC1 P11940 1/20 0.46
ALDH1A1 P00352 6/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MGLL Q99685 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 2/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL14946822 0.91 KMT2A (0.43) HSPA1APABPC1ALDH1A1NPSR1MGLL
SCHEMBL2550420 0.84 HSPA1A (0.52) HSPA1APABPC1ALDH1A1NPSR1MGLL
SCHEMBL12748846 0.74 DPP8 (0.50) HSPA1APABPC1ALDH1A1NPSR1MGLL
SCHEMBL10834888 0.73 MGLL (0.52) HSPA1APABPC1ALDH1A1NPSR1MGLL
SCHEMBL8846028 0.73 HSPA1A (0.45) HSPA1APABPC1ALDH1A1NPSR1MGLL
SCHEMBL12748820 0.73 JUN (0.42) KMT2AMEN1CES2DPP8
SCHEMBL7941692 0.73 HSPA1A (0.41) HSPA1APABPC1ALDH1A1NPSR1POLB
SCHEMBL12748800 0.72 ANPEP (0.33)
SCHEMBL16280099 0.72 MGLL (0.62) HSPA1APABPC1ALDH1A1NPSR1MGLL
SCHEMBL27622789 0.71 HSP90AA1 (0.42) HSPA1APABPC1ALDH1A1NPSR1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181172-B1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2016-02-24 EP disclosed
US-20140155603-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2014-06-05 US disclosed
US-20140155603-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2014-06-05 US disclosed
US-8674104-B2 Halogen-containing perylenetetracarboxylic acid derivatives and the use thereof BASF SE (DE) 2014-03-18 US disclosed
US-8674104-B2 Halogen-containing perylenetetracarboxylic acid derivatives and the use thereof BASF SE (DE) 2014-03-18 US disclosed
US-20130123495-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF CLAP CO., LTD. (KR) 2013-05-16 US disclosed
US-20130123495-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF CLAP CO., LTD. (KR) 2013-05-16 US disclosed
US-20110068328-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2011-03-24 US disclosed
US-20110068328-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2011-03-24 US disclosed
WO-2009024512-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2009-02-26 WO 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 (1 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-20110068328-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF NR0B1, NR0B2, RXRB HSPA1A 2480/4885PABPC1 4422/4885ALDH1A1 1289/4885

“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.