SCHEMBL16299772

SCHEMBL16299772

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CC[C@@]2(C)C(CCC3C2CC[C@@]2(C)C3CC[C@@H]2[C@H](C)CCC(=O)NCCCN=[N+]=[N-])C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.52
▸ EPHA2 P29317 4/20 0.52
▸ VDR P11473 2/20 0.52
▸ ABCC4 O15439 3/20 0.51
▸ SLC10A1 Q14973 2/20 0.51
▸ USP2 O75604 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ ABCC1 P33527 1/20 0.46

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
SCHEMBL10226249 0.87 EPHA2 (0.55) GPBAR1EPHA2VDRABCC4SLC10A1
SCHEMBL16299785 0.87 EPHA2 (0.56) GPBAR1EPHA2VDRABCC4USP2
SCHEMBL14978143 0.86 USP2 (0.54) GPBAR1EPHA2VDRUSP2CYP3A4
SCHEMBL18629123 0.86 USP2 (0.54) GPBAR1EPHA2VDRUSP2CYP3A4
SCHEMBL18629132 0.86 USP2 (0.54) GPBAR1EPHA2VDRUSP2CYP3A4
SCHEMBL10226251 0.86 GPBAR1 (0.61) GPBAR1EPHA2VDRUSP2CYP3A4
SCHEMBL10226261 0.86 GPBAR1 (0.61) GPBAR1EPHA2VDRUSP2CYP3A4
SCHEMBL24193196 0.86 USP2 (0.53) GPBAR1EPHA2VDRUSP2CYP3A4
SCHEMBL21101187 0.86 USP2 (0.53) GPBAR1EPHA2VDRUSP2CYP3A4
SCHEMBL16357781 0.86 USP2 (0.53) GPBAR1EPHA2VDRUSP2CYP3A4

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 GPBAR1 2010/4885EPHA2 538/4885VDR 1584/4885
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 GPBAR1 2010/4885EPHA2 538/4885VDR 1584/4885

“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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