SCHEMBL11025978

SCHEMBL11025978

CCCCN(CCCC)C(=O)c1cccc(-c2cccc(-c3cccc(C(=O)N(CCCC)CCCC)n3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
OPRK1 P41145 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL11023051 0.94 MAOA (0.45)
SCHEMBL12487684 0.90 ALDH1A1 (0.48) ALDH1A1HPGDGABRA1GABRB2LMNA
SCHEMBL11024908 0.83 KDM4A (0.48) ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL14059371 0.83 ALDH1A1 (0.43) ALDH1A1HPGDGABRA1GABRB2LMNA
SCHEMBL28501492 0.77 MEN1 (0.58) ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL2401264 0.73 ADRA2C (0.42) KDM4E
SCHEMBL12487467 0.72 ALDH1A1 (0.50) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL10722469 0.71 HPGD (0.69) ALDH1A1HPGDGABRA1GABRB2LMNA
SCHEMBL11020367 0.71 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2
SCHEMBL10458612 0.71 KDM4E (0.55) ALDH1A1HPGDLMNASMN1; SMN2GAA

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 ALDH1A1 2567/4885HPGD 872/4885GABRA1 2508/4885

“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.