SCHEMBL10226251

SCHEMBL10226251

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)O)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.61
▸ CASP7 P55210 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ EPHA2 P29317 3/20 0.61
▸ VDR P11473 3/20 0.61
▸ USP2 O75604 3/20 0.61
▸ TP53 P04637 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ AKR1B10 O60218 2/20 0.61
▸ AKR1B1 P15121 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ MDM4 O15151 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ HSPD1 P10809 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ PTPN2 P17706 1/20 0.61
▸ PTPN1 P18031 1/20 0.61

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
SCHEMBL10226261 1.00 GPBAR1 (0.61) GPBAR1CASP7HSD17B10TDP1EPHA2
SCHEMBL18629123 0.94 USP2 (0.54) GPBAR1CASP7HSD17B10TDP1EPHA2
SCHEMBL14978143 0.94 USP2 (0.54) GPBAR1CASP7HSD17B10TDP1EPHA2
SCHEMBL18629132 0.94 USP2 (0.54) GPBAR1CASP7HSD17B10TDP1EPHA2
SCHEMBL24193196 0.93 USP2 (0.53) GPBAR1CASP7HSD17B10TDP1EPHA2
SCHEMBL25800116 0.93 USP2 (0.53) GPBAR1CASP7HSD17B10TDP1EPHA2
SCHEMBL21101187 0.93 USP2 (0.53) GPBAR1CASP7HSD17B10TDP1EPHA2
SCHEMBL16357781 0.93 USP2 (0.53) GPBAR1CASP7HSD17B10TDP1EPHA2
SCHEMBL18628061 0.92 USP2 (0.52) GPBAR1CASP7HSD17B10TDP1EPHA2
SCHEMBL10226264 0.92 EPHA2 (0.53) GPBAR1CASP7HSD17B10TDP1EPHA2

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 7 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-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 2010/4885CASP7 4689/4885HSD17B10 4269/4885
US-20190048344-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 GPBAR1 2010/4885CASP7 4689/4885HSD17B10 4269/4885
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 GPBAR1 2010/4885CASP7 4689/4885HSD17B10 4269/4885

“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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