SCHEMBL2333909

SCHEMBL2333909

CC1(C)SCC(C(=O)O)NC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
KMT2A Q03164 4/20 0.68
MAPT P10636 5/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 2/20 0.35
PTPRA P18433 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
BLM P54132 3/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 2/20 0.32
LMNA P02545 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL9665192 0.82 HTT (0.70) HTTKMT2AMAPTMAPK1KDM4E
SCHEMBL10949228 0.82 HTT (0.70) HTTKMT2AMAPTKDM4EMEN1
SCHEMBL9487701 0.82 HTT (0.70) HTTKMT2AMAPTKDM4EMEN1
Limazocic SCHEMBL9326335 0.74 HTT (0.58) HTTKMT2AMAPTMAPK1
Limazocic SCHEMBL9329801 0.74 HTT (0.58) HTTKMT2AMAPTMAPK1
Limazocic SCHEMBL1230921 0.74 HTT (0.58) HTTKMT2AMAPTMAPK1
SCHEMBL2333911 0.74 HTT (0.58) HTTKMT2A
SCHEMBL9662670 0.73 HTT (0.57) HTTKMT2A
SCHEMBL5550440 0.71 HTT (0.55) HTTKMT2AMAPTMEN1BLM
SCHEMBL1973599 0.71 HTT (0.55) HTTKMT2AMAPTMEN1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071775-B2 photovoltaics; emitters in chemiluminescence applications; field-effect transistors and electrophotography; N,N'-Bis(2,6-diisopropylphenyl)-1,7- and -1,6-bis(2,6-diisopropylphenoxy)-perylene-3,4:9,10-tetracarboximide BASF AKTIENGESELLSCHAFT (DE) 2011-12-06 US disclosed
EP-1904497-B1 SUBSTITUTED RYLENE DERIVATIVES BASF SE (DE) 2011-08-17 EP disclosed
US-20100011656-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS BASF SE (DE) 2010-01-21 US disclosed
US-20090124732-A1 Rylene Tetracarboxylic Acid Diimides Substituted By Cyclic Amino Groups BASF AKTIENGESELLSCHAFT (DE) 2009-05-14 US disclosed
CN-101389737-A Use of polynuclear phenolic compounds as stabilisers BASF SE (DE) 2009-03-18 CN disclosed
US-20080167467-A1 Substituted Rylene Derivatives BASF AKTIENGESELLSCHAFT (DE) 2008-07-10 US disclosed
CN-101068790-A Rylene tetracarboxylic acid diimides substituted by cyclic amino groups BASF AG (DE) 2007-11-07 CN 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 (3 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-20080167467-A1 Substituted Rylene Derivatives NR3C2, NR2C2, NR2E3 HTT 1724/4885KMT2A 2472/4885MAPT 4599/4885
US-20090124732-A1 Rylene Tetracarboxylic Acid Diimides Substituted By Cyclic Amino Groups NR1I3, NR1I2, NR1H3 HTT 1549/4885KMT2A 1168/4885MAPT 4752/4885
US-20100011656-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS RPL22, PROX1, RPL29 HTT 1503/4885KMT2A 2164/4885MAPT 2520/4885

“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.