SCHEMBL4252444

SCHEMBL4252444

[CH2]CCCN([CH2])CCCC

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL4253790 0.89
SCHEMBL78616 0.88 TSHR (0.40) DNM1TSHRLMNAALDH1A1ALDH2
SCHEMBL2976655 0.82
SCHEMBL4251512 0.80
SCHEMBL129571 0.80 CA12 (0.37) DNM1TSHRLMNAALDH1A1ALDH2
SCHEMBL11125895 0.80 DNM1 (0.52) DNM1TSHRLMNAALDH1A1CA12
SCHEMBL4127901 0.79 DNM1 (0.50) DNM1TSHRLMNAALDH1A1CA12
SCHEMBL2217865 0.78 S1PR2 (0.39) DNM1
SCHEMBL21065760 0.78 CA12 (0.36) DNM1TSHRLMNAALDH1A1ALDH2
SCHEMBL7646024 0.77 DNM1 (0.55) DNM1TSHRLMNAALDH1A1CA12

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
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
EP-1542975-A2 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-06-22 EP disclosed
WO-2004029028-A2 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES AS DYESTUFFS BASF AKTIENGESELLSCHAFT (DE) 2004-04-08 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 (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 DNM1 3361/4885TSHR 4512/4885LMNA 392/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 DNM1 4012/4885TSHR 531/4885LMNA 3668/4885

“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.