SCHEMBL6995537

SCHEMBL6995537

COc1ccc(C(OC[C@@H]2CC[C@H](Cc3ccccc3)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SLC6A1 P30531 2/20 0.41
SLC6A11 P48066 2/20 0.41
TYMP P19971 1/20 0.38
LTA4H P09960 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 1/20 0.37
KIF11 P52732 1/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL21158798 0.85 SLC6A11 (0.43) SLC6A2SLC6A4SLC6A3SLC6A1SLC6A11
SCHEMBL27414176 0.85 SLC6A11 (0.43) SLC6A2SLC6A4SLC6A3SLC6A1SLC6A11
SCHEMBL12651813 0.81 TYMP (0.43) L3MBTL1SLC6A1SLC6A11TYMPMEN1
SCHEMBL27414202 0.81 SLC6A11 (0.38) L3MBTL1SLC6A1SLC6A11TYMPLTA4H
SCHEMBL2567526 0.80 MEN1 (0.57) SLC6A1SLC6A11TYMPMEN1KMT2A
SCHEMBL27056605 0.80 MEN1 (0.57) SLC6A1SLC6A11TYMPMEN1KMT2A
SCHEMBL2567523 0.80 MEN1 (0.57) SLC6A1SLC6A11TYMPMEN1KMT2A
SCHEMBL12515630 0.78 HPGD (0.48) L3MBTL1SLC6A1SLC6A11MEN1KMT2A
SCHEMBL13190443 0.78 SLC6A11 (0.40) SLC6A2SLC6A4SLC6A3SLC6A1SLC6A11
SCHEMBL25764406 0.74 MEN1 (0.39) SLC6A1SLC6A11TYMPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183355-B2 Method for the synthesis of oligonucleotide derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-05-22 US disclosed
US-20110245478-A1 Method for the Synthesis of Oligonucleotide Derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-10-06 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-20110245478-A1 Method for the Synthesis of Oligonucleotide Derivatives MSN, RNGTT, DCLRE1B L3MBTL1 2018/4885SLC6A2 3092/4885SLC6A4 2146/4885

“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.