SCHEMBL4260892

SCHEMBL4260892

CCOc1[c]c(OCC)cc(OCC)[c]1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.38
TSHR P16473 3/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CYP3A4 P08684 2/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 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
SCHEMBL4253734 0.78 CSNK2A1 (0.34) TP53KDM4EMEN1ALDH1A1POLB
SCHEMBL10635225 0.75 NQO1 (0.36) NQO1TSHRKDM4EMEN1ALDH1A1
SCHEMBL2302755 0.74 NQO1 (0.38) NQO1TSHRHTR2AHTR2CHTR2B
SCHEMBL146623 0.74 NQO1 (0.50) NQO1TSHRCYP3A4TP53KDM4E
SCHEMBL7268095 0.72 NQO1 (0.36) NQO1TSHRCYP3A4KDM4EALDH1A1
SCHEMBL1637881 0.69 NQO1 (0.33) NQO1
SCHEMBL2303845 0.69 CD69 (0.37) NQO1TSHRCYP3A4ALDH1A1POLB
SCHEMBL10635336 0.68 NQO1 (0.38) NQO1TSHRTDP1
SCHEMBL128399 0.68 NQO1 (0.43) NQO1TSHRCYP3A4TP53KDM4E
SCHEMBL8775502 0.67 NQO1 (0.42) NQO1TSHRCYP3A4TP53KDM4E

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 NQO1 3997/4885TSHR 4512/4885HTR2A 3090/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 NQO1 1801/4885TSHR 531/4885HTR2A 1184/4885

“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.