SCHEMBL4253734

SCHEMBL4253734

CCCOc1[c]c(OCCC)cc(OCCC)[c]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.32
LTA4H P09960 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31

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
SCHEMBL4253556 0.89 LTA4H (0.35) LTA4H
SCHEMBL4260892 0.78 NQO1 (0.38) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4277111 0.77 LTA4H (0.39) KMT2AMEN1MAPTHPGDLTA4H
SCHEMBL1636795 0.75 CSNK2A1 (0.34) CSNK2A1KMT2AMEN1ALDH1A1MAPT
SCHEMBL27471058 0.74 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL27711899 0.72 ELANE (0.33) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL17110674 0.71 TUBB4A (0.31) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1637765 0.71 TUBB4A (0.37) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL185541 0.70 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL17110536 0.70 KDM4E (0.33) KMT2AMEN1ALDH1A1MAPTHTT

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
EP-1542975-B1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF SE (DE) 2016-03-09 EP disclosed
US-7550606-B2 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US disclosed
US-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-7446198-B2 9-Cyano-substituted perylene-3, 4-dicarboxylic monoimides BASF AKTIENGESELLSCHAFT (DE) 2008-11-04 US disclosed
CN-100400514-C 9-cyano-substituted perylene-3, 4-dicarboxylic monoimides BASF AG (DE) 2008-07-09 CN disclosed
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
CN-1681792-A 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AG (DE) 2005-10-12 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 (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-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES CA9, F9, CA13 CSNK2A1 1120/4885KMT2A 1074/4885MEN1 778/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 CSNK2A1 2100/4885KMT2A 2435/4885MEN1 2929/4885

“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.