SCHEMBL5643106

SCHEMBL5643106

CCCCON(C=O)CC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
CYP3A4 P08684 2/20 0.34
TSHR P16473 5/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
ADH1C P00326 2/20 0.31
ADH1A P07327 2/20 0.31
ADH4 P08319 1/20 0.31
ADH1B P00325 1/20 0.30
ADH7 P40394 1/20 0.30

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
SCHEMBL27596746 0.83 TSHR (0.35) ATMCYP3A4TSHRALDH1A1HPGD
SCHEMBL12253207 0.81 ADH1C (0.43) ATMTSHRCA1CA2ADH1C
SCHEMBL27862543 0.79 TSHR (0.37) ATMCYP3A4TSHRALDH1A1HPGD
SCHEMBL1566319 0.78 ADH1C (0.40) TSHRCA1CA2HCAR2ADH1C
SCHEMBL3139541 0.78 ADH1C (0.36) TSHRHPGDCA1CA2HCAR2
SCHEMBL9767729 0.77 ADH1C (0.39) TSHRHPGDCA1CA2HCAR2
SCHEMBL8422500 0.76 ATM (0.38) ATMCYP3A4TSHRALDH1A1HPGD
SCHEMBL1274837 0.75
SCHEMBL10773593 0.75 TSHR (0.40) TSHRHPGDCA1CA2ADH1C
SCHEMBL13761201 0.75 AKR1B1 (0.41) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1784416-A 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-07 CN claimed
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP claimed
WO-2004065402-A1 9-KETOSPINOSYN DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO claimed
CN-1918128-B fused ring 4-oxo-pyrimidine derivatives BANYU PHARMA CO LTD 2011-01-26 CN disclosed
CN-1922183-B Nitrogenous fused heteroaromatic ring derivative BANYU PHARMA CO LTD 2010-05-26 CN disclosed
CN-100404544-C 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2008-07-23 CN disclosed
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US disclosed
CN-1960977-A Quinazoline derivative BANYU PHARMA CO LTD (JP) 2007-05-09 CN disclosed
CN-1922183-A Nitrogenous fused heteroaromatic ring derivative BANYU PHARMA CO LTD (JP) 2007-02-28 CN disclosed
CN-1918128-A Fused ring 4-oxo-pyrimidine derivatives BANYU PHARMA CO LTD (JP) 2007-02-21 CN disclosed
US-20060128642-A1 9-Ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-15 US disclosed
CN-1784416-A 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-07 CN disclosed
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP disclosed
WO-2004065402-A1 9-KETOSPINOSYN DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO disclosed
CN-1077110-C 13-substituted milbemycin 5-oxime derivatives their preparation and their use against insects and other pests SANKYO CO (JP) 2002-01-02 CN disclosed
CN-1072652-C Substd. benzoylaminothiazole derivatives and drugs containing same ZERIA PHARM CO LTD (JP) 2001-10-10 CN disclosed
CN-1234028-A Substd. benzoylaminothiazole derivatives and drugs containing same ZERIA PHARM CO LTD (JP) 1999-11-03 CN disclosed
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 CN disclosed
CN-1153177-A 13-substituted milbemycin 5-oxime derivatives their preparation and their use against insects and other pests SANKYO CO (JP) 1997-07-02 CN 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 (1 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-20060128642-A1 9-Ketospinosyn derivatives SNX9, NANS, BROX ATM 4636/4885CYP3A4 2733/4885TSHR 3417/4885

“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.