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SCHEMBL13610652

SCHEMBL13610652

CNC(=O)CCC(=O)O[C@@H]1C[C@H](n2cc(/C=C/C(=O)NCCNC(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6CCCC[C@]6(C)[C@H]5CC[C@]34C)c(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 4/20 0.40
▸ SHBG P04278 1/20 0.39
▸ GPBAR1 Q8TDU6 2/20 0.35
▸ AKR1B10 O60218 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ EFNA1 P20827 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SLC10A1 Q14973 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL13032473 1.00 EPHA2 (0.40) EPHA2SHBGGPBAR1AKR1B10AKR1B1
SCHEMBL12259018 0.92 EPHA2 (0.40) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL13610659 0.86 EPHA2 (0.37) EPHA2SHBGGPBAR1AKR1B10AKR1B1
SCHEMBL12259017 0.86 EPHA2 (0.37) EPHA2SHBGGPBAR1AKR1B10AKR1B1
SCHEMBL13032470 0.84 POLA1 (0.39) EPHA2LMNA
SCHEMBL13610651 0.84 POLA1 (0.39) EPHA2LMNA
SCHEMBL13610662 0.79 DRD2 (0.33) —
SCHEMBL13610657 0.78 TK2 (0.33) —
SCHEMBL13032488 0.78 TK2 (0.33) —
SCHEMBL12011062 0.72 EPHA2 (0.59) EPHA2GPBAR1AKR1B10AKR1B1EFNA1

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 EPHA2 1402/4885SHBG 4866/4885GPBAR1 3219/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG EPHA2 410/4885SHBG 2651/4885GPBAR1 838/4885

“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.