SCHEMBL410754

SCHEMBL410754

N#Cc1ccc(OCCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.61
ALDH1A1 P00352 2/20 0.58
MAPT P10636 1/20 0.58
MMP3 P08254 5/20 0.56
RECQL P46063 1/20 0.56
MMP1 P03956 1/20 0.56
MMP9 P14780 1/20 0.56
MMP13 P45452 1/20 0.56
HRH3 Q9Y5N1 7/20 0.51
HRH2 P25021 4/20 0.51
HRH1 P35367 4/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
MAOB P27338 1/20 0.50
NR1I2 O75469 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
SCHEMBL5096555 0.96 MMP2 (0.67) MMP2ALDH1A1MAPTMMP3RECQL
SCHEMBL1618099 0.89 ALDH1A1 (0.56) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL7561045 0.89 PPARD (0.52) MMP2ALDH1A1MAPTMMP3RECQL
SCHEMBL9004244 0.89 PPARD (0.52) MMP2ALDH1A1MAPTMMP3RECQL
SCHEMBL28563986 0.88 APP (0.63) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL28563987 0.88 APP (0.63) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL28566599 0.88 APP (0.63) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL7590338 0.88 MMP2 (0.63) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL6738645 0.88 APP (0.63) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL7959136 0.88 MAPT (0.54) MMP2ALDH1A1MAPTMMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182382-A1 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR UNIV COPENHAGEN (DK) 2024-06-06 US disclosed
EP-4305009-A2 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR University of Copenhagen (DK) 2024-01-17 EP disclosed
WO-2023085390-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2023-05-19 WO disclosed
WO-2022189304-A2 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR UNIVERSITY OF COPENHAGEN (DK) 2022-09-15 WO disclosed
EP-4056546-A1 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR University of Copenhagen (DK) 2022-09-14 EP disclosed
CN-108440251-B Method for photo/nickel concerted catalysis of monoarylation diol 陕西师范大学 2021-01-01 CN disclosed
CN-107522673-B 1,2,4, 5-tetrazine compound for bioorthogonal reaction and preparation method and application thereof 北京师范大学 2020-05-19 CN disclosed
CN-110724026-A In-situ deoxygenation fluorination synthesis method based on alcohol compound and 18F radioactive labeling method 合肥工业大学 2020-01-24 CN disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
US-6063885-A Oxazoline or oxazine methacrylate aqueous coating compositions S. C. JOHNSON COMMERCIAL MARKETS, INC. (US) 2000-05-16 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-20240182382-A1 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR NBAS, HRAS, NAA15 MMP2 4418/4885ALDH1A1 747/4885MAPT 2572/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB MMP2 3993/4885ALDH1A1 510/4885MAPT 2597/4885

“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.