SCHEMBL6838786

SCHEMBL6838786

CCN(CC)CC.COc1ccc(C(OCCCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
SLC6A11 P48066 4/20 0.46
SLC6A1 P30531 2/20 0.46
ESR1 P03372 1/20 0.42
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A12 P48065 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
CYP2D6 P10635 1/20 0.40
KIF11 P52732 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 1/20 0.40
CHRM2 P08172 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
SCHEMBL6834879 0.92 PDE4B (0.54) PDE4BSLC6A11SLC6A1CYP3A4MEN1
SCHEMBL28577719 0.89 PDE4B (0.52) PDE4BSLC6A11SLC6A1CYP3A4MEN1
SCHEMBL12005099 0.87 PDE4B (0.51) PDE4BSLC6A11SLC6A1CYP3A4MEN1
SCHEMBL12004675 0.87 PDE4B (0.51) PDE4BSLC6A11SLC6A1CYP3A4MEN1
SCHEMBL12004703 0.87 PDE4B (0.51) PDE4BSLC6A11SLC6A1CYP3A4MEN1
SCHEMBL6838771 0.84 SLC6A11 (0.45) SLC6A11SLC6A1CYP3A4MEN1TP53
SCHEMBL30861823 0.84 SLC6A11 (0.53) PDE4BSLC6A11SLC6A1CYP3A4MEN1
SCHEMBL2837142 0.83 SLC6A11 (0.46) SLC6A11SLC6A1CYP3A4MEN1TP53
SCHEMBL20371128 0.82 CHRM2 (0.46) SLC6A11SLC6A1CYP3A4MEN1CYP1A2
SCHEMBL8870562 0.81 KIF11 (0.53) SLC6A1ESR1CYP2D6KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762281-B2 GENERATING PREFERENTIAL OLIGOMERS; GENERATE OLIGOMER, DEPROTECT, EXPOSE TO PHOSPHOROUS, OXIDIZE, EXPOSE TO SULFUR, CLEAVE, RECOVER PRODUCT ISIS PHARMACEUTICALS, INC. 2004-07-13 US disclosed
US-20040019000-A1 Polyalkyleneamine-containing oligomers ISIS PHARMACEUTICALS, INC. 2004-01-29 US disclosed
US-20020156235-A1 Process for preparing peptide derivatized oligomeric compounds IONIS PHARMACEUTICALS, INC. 2002-10-24 US disclosed
WO-2002020544-A1 PROCESS FOR PREPARING PEPTIDE DERIVATIZED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2002-03-14 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-20020156235-A1 Process for preparing peptide derivatized oligomeric compounds IAPP, PTMS, NGLY1 PDE4B 4549/4885SLC6A11 4309/4885SLC6A1 4635/4885
US-20040019000-A1 Polyalkyleneamine-containing oligomers FUS, NSF, PICALM PDE4B 4722/4885SLC6A11 383/4885SLC6A1 277/4885

“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.