SCHEMBL6834879

SCHEMBL6834879

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.54
SLC6A11 P48066 4/20 0.51
SLC6A1 P30531 2/20 0.51
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A12 P48065 1/20 0.46
SLC6A13 Q9NSD5 1/20 0.46
KIF11 P52732 4/20 0.45
KCNH2 Q12809 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL28577719 0.96 PDE4B (0.52) PDE4BSLC6A11SLC6A1HTTNPSR1
SCHEMBL12004703 0.94 PDE4B (0.51) PDE4BSLC6A11SLC6A1HTTNPSR1
SCHEMBL12004675 0.94 PDE4B (0.51) PDE4BSLC6A11SLC6A1HTTNPSR1
SCHEMBL12005099 0.94 PDE4B (0.51) PDE4BSLC6A11SLC6A1HTTNPSR1
SCHEMBL6838786 0.92 PDE4B (0.47) PDE4BSLC6A11SLC6A1HTTNPSR1
SCHEMBL30861823 0.91 SLC6A11 (0.53) PDE4BSLC6A11SLC6A1HTTNPSR1
SCHEMBL8870562 0.88 KIF11 (0.53) SLC6A1KIF11FFAR4
SCHEMBL335718 0.87 SLC6A11 (0.46) PDE4BSLC6A11SLC6A1HTTNPSR1
SCHEMBL2837142 0.87 SLC6A11 (0.46) SLC6A11SLC6A1MEN1TP53CYP1A2
SCHEMBL13551201 0.87 GAA (0.48) SLC6A11SLC6A1MEN1CYP1A2CYP3A4

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 5 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-6559279-B1 Generation of peptide linked oligomers; generate solid support, expose to deprotecting agent, incubate with nucleoside, cap, cleave and recover peptide derivative ISIS PHARMACEUTICALS, INC. 2003-05-06 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.