SCHEMBL782243

SCHEMBL782243

COc1ccccc1C1=C(O)C2(CCN(OC)CC2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
STK10 O94804 5/20 0.39
SLK Q9H2G2 5/20 0.39
SSTR5 P35346 1/20 0.39
GSK3B P49841 4/20 0.38
GSK3A P49840 2/20 0.38
AVPR1A P37288 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL782356 0.86 MAPT (0.37) NPY5RALDH1A1KMT2ASSTR5AVPR1A
SCHEMBL782235 0.85 NPY5R (0.38) NPY5RHSP90AA1HSP90AB1STK10SLK
SCHEMBL782383 0.85 NPY5R (0.38) NPY5RMEN1KMT2ASSTR5AVPR1A
SCHEMBL782254 0.82 NPY5R (0.35) NPY5RCYP3A4AVPR1AHRH3CYP2C19
SCHEMBL782250 0.81 SSTR5 (0.34) NPY5RKDM4ESSTR5HRH3
SCHEMBL782249 0.81 CYP19A1 (0.45) ALDH1A1CYP3A4HPGDMEN1KMT2A
SCHEMBL782253 0.80 THRB (0.35) NPY5RAVPR1ACHRM3
SCHEMBL782599 0.79 PTGS2 (0.39) NPY5R
SCHEMBL769642 0.79 AVPR1A (0.32) NPY5RAVPR1A
SCHEMBL782234 0.79 EDNRA (0.44) NPY5RALDH1A1CYP3A4KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
WO-2012069008-A1 3-SUBSTITUTED SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US disclosed
WO-2010135914-A1 NEW SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO 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-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES DDT, DHFR, CYP1A1 NPY5R 2496/4885ALDH1A1 23/4885CYP3A4 78/4885

“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.