SCHEMBL11024908

SCHEMBL11024908

CCN(CC)C(=O)c1cccc(-c2cccc(-c3cccc(C(=O)N(CC)CC)n3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.48
ALDH1A1 P00352 7/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 6/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 2/20 0.41
GFER P55789 1/20 0.41
SCN9A Q15858 1/20 0.41
CYP1A2 P05177 1/20 0.41
ECE1 P42892 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL12487467 0.89 ALDH1A1 (0.50) KDM4AALDH1A1MAPTL3MBTL1HPGD
SCHEMBL11025978 0.83 ALDH1A1 (0.43) ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL10085785 0.82 P2RX7 (0.54) KDM4AALDH1A1MAPTL3MBTL1HPGD
SCHEMBL28973338 0.82 KDM4E (0.61) KDM4AALDH1A1MAPTL3MBTL1HPGD
SCHEMBL12753630 0.82 CNR2 (0.51) ALDH1A1MAPTL3MBTL1
SCHEMBL11023051 0.81 MAOA (0.45)
SCHEMBL9319602 0.81 ALDH1A1 (0.51) KDM4AALDH1A1MAPTL3MBTL1HPGD
SCHEMBL17882450 0.81 ALDH1A1 (0.44) KDM4AALDH1A1MAPTL3MBTL1HPGD
SCHEMBL10258703 0.81 ALDH1A1 (0.46) KDM4AALDH1A1MAPTL3MBTL1HPGD
SCHEMBL11020367 0.79 ALDH1A1 (0.53) ALDH1A1HPGDMAPK1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8709129-B2 Compounds useful as ligands of actinides, their synthesis and their uses COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-04-29 US claimed
EP-2456766-B1 COMPOUNDS SUITABLE FOR USE AS ACTINIDE LIGANDS, SYNTHESIS AND USES THEREOF COMMISSARIAT ENERGIE ATOMIQUE (FR) 2013-11-06 EP claimed
US-20120186396-A1 COMPOUNDS USEFUL AS LIGANDS OF ACTINIDES, THEIR SYNTHESIS AND THEIR USES UNIVERSITE DE NANTES (FR) 2012-07-26 US claimed
US-8709129-B2 Compounds useful as ligands of actinides, their synthesis and their uses COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-04-29 US disclosed
EP-2456766-B1 COMPOUNDS SUITABLE FOR USE AS ACTINIDE LIGANDS, SYNTHESIS AND USES THEREOF COMMISSARIAT ENERGIE ATOMIQUE (FR) 2013-11-06 EP disclosed
US-20120186396-A1 COMPOUNDS USEFUL AS LIGANDS OF ACTINIDES, THEIR SYNTHESIS AND THEIR USES UNIVERSITE DE NANTES (FR) 2012-07-26 US 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-20120186396-A1 COMPOUNDS USEFUL AS LIGANDS OF ACTINIDES, THEIR SYNTHESIS AND THEIR USES AHR, ARNT, HRH3 KDM4A 4795/4885ALDH1A1 2567/4885MAPT 1530/4885

“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.