SCHEMBL17618297

SCHEMBL17618297

c1cc(CN2Cc3ccccc3C2)cc(CN2Cc3ccccc3C2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
TMEM97 Q5BJF2 2/20 0.49
HTR1A P08908 1/20 0.49
DRD4 P21917 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
HTR5A P47898 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PRMT6 Q96LA8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
DRD3 P35462 2/20 0.47
KCNH2 Q12809 2/20 0.47
DRD2 P14416 1/20 0.47
NCF1 P14598 1/20 0.44

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
SCHEMBL17618296 0.91 SIGMAR1 (0.46) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL20457589 0.87 ACHE (0.57) KDM4EALDH1A1MAPTHTT
SCHEMBL6672942 0.86 SIGMAR1 (0.62) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
Hydrochloric Acid SCHEMBL16713355 0.84 SIGMAR1 (0.60) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL17618298 0.84 SIGMAR1 (0.43) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL17618300 0.83 SIGMAR1 (0.50) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL2560767 0.82 ENPP2 (0.51) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL18687073 0.81 ACHE (0.52) HTR1ADRD3KCNH2DRD2KDM4E
SCHEMBL30073105 0.80 SIGMAR1 (0.60) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL12451410 0.79 CYP1A2 (0.51) SIGMAR1HTR1AOPRK1PRMT6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115353667-A Method and material for reducing waste 李蓁蓁 2022-11-18 CN disclosed
US-20220073699-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2022-03-10 US disclosed
US-10988597-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING, INC. (US) 2021-04-27 US disclosed
US-20200131334-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2020-04-30 US disclosed
US-10316167-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING (US) 2019-06-11 US disclosed
WO-2016044722-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 WO disclosed
US-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 US disclosed
US-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 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 (5 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-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT SIGMAR1 130/4885ADRA2A 2283/4885ADRA2B 2818/4885
US-10316167-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT SIGMAR1 130/4885ADRA2A 2283/4885ADRA2B 2818/4885
US-20200131334-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT SIGMAR1 130/4885ADRA2A 2283/4885ADRA2B 2818/4885
US-10988597-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT SIGMAR1 130/4885ADRA2A 2283/4885ADRA2B 2818/4885
US-20220073699-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT SIGMAR1 130/4885ADRA2A 2283/4885ADRA2B 2818/4885

“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.