SCHEMBL21541646

SCHEMBL21541646

Cn1cc[n+](C)c1F.F[P-](F)(F)(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.48
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14972849 0.83 HDAC8 (0.45) HDAC8APOBEC3AAPOBEC3GPOLBCTDSP1
SCHEMBL23698040 0.67 HDAC8 (0.38) HDAC8
SCHEMBL329129 0.65
SCHEMBL427788 0.65 HDAC8 (0.35) HDAC8APOBEC3AAPOBEC3GPOLBCTDSP1
SCHEMBL425516 0.64 HDAC8 (0.33) HDAC8
SCHEMBL486560 0.64 HDAC8 (0.48) HDAC8APOBEC3AAPOBEC3GPOLBCTDSP1
SCHEMBL422096 0.64 HDAC8 (0.33) HDAC8
SCHEMBL12201262 0.64
SCHEMBL22349236 0.64
SCHEMBL12279963 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115772094-A Oximation method of cyclododecanone 万华化学集团股份有限公司 2023-03-10 CN claimed
CN-115772094-B Cyclododecanone is to be oximated 万华化学集团股份有限公司 2024-09-10 CN disclosed
CN-113437359-B Preparation method of polypropylene oxide polymer solid electrolyte film 长沙矿冶研究院有限责任公司 2023-04-07 CN disclosed
CN-115772094-A Oximation method of cyclododecanone 万华化学集团股份有限公司 2023-03-10 CN disclosed
CN-114195651-A Underwater adhesive and preparation method thereof 浙江工业大学 2022-03-18 CN disclosed
EP-3567027-B1 METHOD FOR PRODUCING N-BENZYL-2-BROMO-3-METHOXYPROPIONAMIDE AND INTERMEDIATES THEREOF API CORP (JP) 2022-01-19 EP disclosed
US-11136287-B2 Method for producing n-benzyl-2-bromo-3-methoxypropionamide and intermediates thereof API CORPORATION (JP) 2021-10-05 US disclosed
CN-113437359-A Preparation method of polypropylene oxide polymer solid electrolyte film 长沙矿冶研究院有限责任公司 2021-09-24 CN disclosed
CN-111787998-B Composite semipermeable membrane and composite semipermeable membrane element 东丽株式会社 2021-08-24 CN disclosed
CN-113121347-A Acrylic ester compound for preparing spiro lactone, spiro lactone and preparation method thereof 黄淮学院 2021-07-16 CN disclosed
CN-111787997-B Composite semipermeable membrane and composite semipermeable membrane element 东丽株式会社 2021-05-25 CN disclosed
CN-111787998-A Composite semipermeable membrane and composite semipermeable membrane element 东丽株式会社 2020-10-16 CN disclosed
CN-111787997-A Composite semipermeable membrane and composite semipermeable membrane element 东丽株式会社 2020-10-16 CN disclosed
CN-110536743-B Composite semipermeable membrane and method for producing same 东丽株式会社 2020-07-07 CN disclosed
US-20200115322-A1 METHOD FOR PRODUCING N-BENZYL-2-BROMO-3-METHOXYPROPIONAMIDE AND INTERMEDIATES THEREOF API CORPORATION (JP) 2020-04-16 US disclosed
EP-3567027-A1 N-BENZYL-2-BROMO-3-METHOXYPROPIONAMIDE AND METHOD FOR PRODUCING INTERMEDIATE THEREOF API Corporation (JP) 2019-11-13 EP 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-20200115322-A1 METHOD FOR PRODUCING N-BENZYL-2-BROMO-3-METHOXYPROPIONAMIDE AND INTERMEDIATES THEREOF NAAA, BRD2, PAM HDAC8 3351/4885APOBEC3A 90/4885APOBEC3G 119/4885
US-11136287-B2 Method for producing n-benzyl-2-bromo-3-methoxypropionamide and intermediates thereof NAAA, BRD2, PAM HDAC8 3351/4885APOBEC3A 90/4885APOBEC3G 119/4885

“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.