SCHEMBL13610651

SCHEMBL13610651

CNC(=O)CCC(=O)O[C@@H]1C[C@H](n2cc(/C=C/C(=O)NCCNC(=O)O[C@H]3CC[C@@]4(C)C(=CCC5C4CC[C@@]4(C)C5CC[C@@H]4[C@H](C)CCCC(C)C)C3)c(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.39
PLA2G2A P14555 1/20 0.38
APP P05067 1/20 0.38
CYP46A1 Q9Y6A2 2/20 0.37
NR1H3 Q13133 2/20 0.37
EPHA2 P29317 4/20 0.36
USP2 O75604 2/20 0.35
LMNA P02545 1/20 0.35
ABCB1 P08183 1/20 0.35
OSBP P22059 1/20 0.35
RORC P51449 1/20 0.35
OSBP2 Q969R2 1/20 0.35
NPC1 O15118 1/20 0.34
NPC1L1 Q9UHC9 1/20 0.34
GBA1 P04062 1/20 0.34
UGCG Q16739 1/20 0.34
GBA2 Q9HCG7 1/20 0.34

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
SCHEMBL13032470 1.00 POLA1 (0.39) POLA1PLA2G2AAPPCYP46A1NR1H3
SCHEMBL12259016 0.93 POLA1 (0.39) POLA1PLA2G2AAPPCYP46A1NR1H3
SCHEMBL12259014 0.87 POLA1 (0.36) POLA1PLA2G2AAPPCYP46A1NR1H3
SCHEMBL13610648 0.87 POLA1 (0.36) POLA1PLA2G2AAPPCYP46A1NR1H3
SCHEMBL13610652 0.84 EPHA2 (0.40) EPHA2LMNA
SCHEMBL11992553 0.80 PLA2G2A (0.47) POLA1PLA2G2AAPPCYP46A1NR1H3
SCHEMBL24141990 0.79 POLA1 (0.45) POLA1PLA2G2AAPPCYP46A1NR1H3
SCHEMBL15849326 0.79 POLA1 (0.45) POLA1PLA2G2AAPPCYP46A1NR1H3
SCHEMBL4546174 0.79 POLA1 (0.45) POLA1PLA2G2AAPPCYP46A1NR1H3
SCHEMBL11992542 0.79 PLA2G2A (0.46) POLA1PLA2G2AAPPCYP46A1NR1H3

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-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-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 (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-20070105803-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA POLA1 734/4885PLA2G2A 456/4885APP 176/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG POLA1 618/4885PLA2G2A 3293/4885APP 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.