SCHEMBL13610648

SCHEMBL13610648

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(/C=C/C(=O)NCCNC(=O)O[C@H]4CC[C@@]5(C)C(=CCC6C5CC[C@@]5(C)C6CC[C@@H]5[C@H](C)CCCC(C)C)C4)c(=O)[nH]c3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.36
CYP46A1 Q9Y6A2 2/20 0.36
APP P05067 1/20 0.35
PLA2G2A P14555 1/20 0.34
EPHA2 P29317 3/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
ABCB1 P08183 1/20 0.33
OSBP P22059 1/20 0.33
RORC P51449 1/20 0.33
OSBP2 Q969R2 1/20 0.33
GBA1 P04062 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
NPC1L1 Q9UHC9 4/20 0.32
NPC1 O15118 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL12259014 1.00 POLA1 (0.36) POLA1CYP46A1APPPLA2G2AEPHA2
SCHEMBL13032470 0.87 POLA1 (0.39) POLA1CYP46A1APPPLA2G2AEPHA2
SCHEMBL13610651 0.87 POLA1 (0.39) POLA1CYP46A1APPPLA2G2AEPHA2
SCHEMBL12259016 0.84 POLA1 (0.39) POLA1CYP46A1APPPLA2G2AEPHA2
SCHEMBL12259017 0.84 EPHA2 (0.37) EPHA2LMNA
SCHEMBL14473410 0.81 CYP46A1 (0.44) POLA1CYP46A1APPPLA2G2AEPHA2
SCHEMBL24353060 0.81 CYP46A1 (0.42) POLA1CYP46A1APPPLA2G2AEPHA2
SCHEMBL14817435 0.81 CYP46A1 (0.42) POLA1CYP46A1APPPLA2G2AEPHA2
SCHEMBL24780015 0.81 CYP46A1 (0.42) POLA1CYP46A1APPPLA2G2AEPHA2
SCHEMBL14473285 0.80 CYP46A1 (0.42) POLA1CYP46A1APPPLA2G2AEPHA2

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-8404862-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-7582744-B2 containing 2'-O-methyl modified nucleoside; oligonucleotide having a nucleotide sequence consisting of from 12 to 23 nucleotides in length sufficiently complementary to a microRNA target sequence of about 12 to 23 nucleotides, conjugate with a cholesterol or steroid; for inhibiting gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 US disclosed
US-20070105803-A1 Methods and compositions for treating neurological disease MASSACHUSETTS, UNIVERSITY OF 2007-05-10 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 (3 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-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA POLA1 734/4885CYP46A1 3384/4885APP 176/4885
US-20070105803-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA POLA1 734/4885CYP46A1 3384/4885APP 176/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG POLA1 618/4885CYP46A1 3942/4885APP 4125/4885

“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.