SCHEMBL10226246

SCHEMBL10226246

C#CCCCC(=O)N[C@H]1CC[C@@]2(C)C(CCC3C2CC[C@@]2(C)C3CC[C@@H]2[C@H](C)CCC(=O)OC)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.65
▸ HIF1A Q16665 3/20 0.65
▸ VDR P11473 3/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ USP2 O75604 3/20 0.54
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ EPHA2 P29317 4/20 0.51
▸ CASP7 P55210 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ BLM P54132 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ MDM4 O15151 1/20 0.51
▸ HSPD1 P10809 1/20 0.51

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
SCHEMBL10226248 0.92 VDR (0.62) GPBAR1HIF1AVDRUSP2CYP3A4
SCHEMBL16299787 0.85 GPBAR1 (0.62) GPBAR1HIF1AVDRCYP2C9USP2
SCHEMBL23845874 0.84 GPBAR1 (0.77) GPBAR1HIF1AVDRCYP2C9USP2
SCHEMBL22855456 0.83 VDR (0.70) GPBAR1HIF1AVDRUSP2CYP3A4
SCHEMBL23845918 0.83 GPBAR1 (0.78) GPBAR1HIF1AVDRCYP2C9USP2
SCHEMBL25943617 0.80 GPBAR1 (0.75) GPBAR1HIF1ACYP2C9USP2CYP3A4
SCHEMBL25943561 0.80 GPBAR1 (0.75) GPBAR1HIF1ACYP2C9USP2CYP3A4
SCHEMBL19361007 0.80 GPBAR1 (0.75) GPBAR1HIF1ACYP2C9USP2CYP3A4
SCHEMBL21510975 0.80 GPBAR1 (0.73) GPBAR1HIF1AVDRCYP2C9USP2
SCHEMBL21024324 0.80 GPBAR1 (0.73) GPBAR1HIF1AVDRCYP2C9USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048344-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2019-02-14 — — US disclosed
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-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
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 (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-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 GPBAR1 2010/4885HIF1A 700/4885VDR 1584/4885
US-20190048344-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 GPBAR1 2010/4885HIF1A 700/4885VDR 1584/4885
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 GPBAR1 2010/4885HIF1A 700/4885VDR 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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