SCHEMBL6802660

SCHEMBL6802660

CC(C)(C)OC(=O)NC(CCCCC(=O)O)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.39
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 6/20 0.35
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
AKR1B1 P15121 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
GPR84 Q9NQS5 5/20 0.33
HDAC11 Q96DB2 5/20 0.33
TLR2 O60603 2/20 0.33
FABP4 P15090 2/20 0.33
PTPN1 P18031 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33

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
SCHEMBL7883209 0.98 MEN1 (0.40) MEN1KMT2AGAANAALAD2TDP1
SCHEMBL7886169 0.95 MEN1 (0.41) MEN1KMT2AGAANAALAD2TDP1
SCHEMBL14660314 0.83 CTSK (0.43) MEN1KMT2AGAATDP1CTSS
SCHEMBL11569761 0.81 TDP1 (0.37) MEN1KMT2AGAANAALAD2TDP1
SCHEMBL28235385 0.80 CTSK (0.41) MEN1KMT2AGAATDP1ALDH1A1
SCHEMBL11522921 0.80 TSHR (0.44) MEN1KMT2ANAALAD2TDP1LMNA
SCHEMBL5772332 0.78 MEN1 (0.40) MEN1KMT2AGAANAALAD2TDP1
SCHEMBL29747299 0.77 MEN1 (0.38) MEN1KMT2AGAATDP1CTSS
SCHEMBL7878307 0.76 NAALAD2 (0.38) MEN1KMT2AGAANAALAD2TDP1
SCHEMBL23040814 0.76 CTSK (0.39) MEN1KMT2AGAACTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138139-A1 Novel compounds CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD (GB) 2004-07-15 US disclosed
EP-1343810-A2 DIAMINODICARBOXYLIC ACID: PEPTIDE-BASED GEMINI SURFACTANT COMPOUNDS USED FOR DRUG DELIVERY SmithKline Beecham P.L.C. (GB) 2003-09-17 EP disclosed
WO-2002050100-A2 DIAMINODICARBOXYLIC ACID: PEPTIDE-BASED GEMINI SURFACTANT COMPOUNDS USED FOR DRUG DELIVERY SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 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 (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-20040138139-A1 Novel compounds GMNN, NGLY1, GLUL MEN1 1352/4885KMT2A 4725/4885GAA 462/4885

“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.