SCHEMBL16299785

SCHEMBL16299785

CCCCCCCC/C=C\CCCCCCCCNC(=O)CC[C@@H](C)[C@H]1CCC2C3CCC4C[C@H](OC(=O)NCCCN=[N+]=[N-])CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.56
▸ ABCC4 O15439 3/20 0.55
▸ GPBAR1 Q8TDU6 3/20 0.55
▸ ABCC1 P33527 1/20 0.53
▸ VDR P11473 3/20 0.52
▸ USP2 O75604 1/20 0.50

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
SCHEMBL8619016 0.91 EPHA2 (0.59) EPHA2ABCC4GPBAR1ABCC1VDR
SCHEMBL20730017 0.91 ABCC4 (0.59) EPHA2ABCC4GPBAR1ABCC1VDR
SCHEMBL13785424 0.91 EPHA2 (0.62) EPHA2ABCC4GPBAR1ABCC1VDR
SCHEMBL10819278 0.91 EPHA2 (0.58) EPHA2ABCC4GPBAR1ABCC1VDR
SCHEMBL13785415 0.91 EPHA2 (0.58) EPHA2ABCC4GPBAR1ABCC1VDR
SCHEMBL10163458 0.91 EPHA2 (0.58) EPHA2ABCC4GPBAR1ABCC1VDR
SCHEMBL13785429 0.90 EPHA2 (0.58) EPHA2ABCC4GPBAR1ABCC1VDR
SCHEMBL18755838 0.90 EPHA2 (0.58) EPHA2ABCC4GPBAR1ABCC1VDR
SCHEMBL10226250 0.89 ABCC4 (0.56) EPHA2ABCC4GPBAR1ABCC1VDR
SCHEMBL15833330 0.88 EPHA2 (0.58) EPHA2ABCC4GPBAR1ABCC1VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2015-07-23 — — US disclosed
US-8962580-B2 Chemical modifications of monomers and oligonucleotides with cycloaddition ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-24 — — US disclosed
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-09 — — 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-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 EPHA2 538/4885ABCC4 4446/4885GPBAR1 2010/4885
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 EPHA2 538/4885ABCC4 4446/4885GPBAR1 2010/4885

“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.

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