SCHEMBL782234

SCHEMBL782234

COc1ccc(C2=C(O)C3(CCN(OC)CC3)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.44
EDNRB P24530 1/20 0.44
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
NPY5R Q15761 1/20 0.40
DRD2 P14416 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
PTGS1 P23219 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOB P27338 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
SCHEMBL782610 0.89 EDNRA (0.39) EDNRAEDNRBNPY5RPTGS1ALDH1A1
SCHEMBL782600 0.88 EDNRA (0.40) EDNRANPY5RKDM4E
SCHEMBL782377 0.88 PTGS2 (0.39) EDNRAEDNRBHTTKDM4E
SCHEMBL782599 0.88 PTGS2 (0.39) NPY5RDRD2SIGMAR1PTGS1
SCHEMBL782249 0.84 CYP19A1 (0.45) EDNRAEDNRBALDH1A1GSK3BKDM4E
SCHEMBL13548121 0.83 ALDH1A1 (0.47) EDNRAEDNRBME2ME1ME3
SCHEMBL782401 0.82 EDNRA (0.43) EDNRAEDNRBPTGS1ALDH1A1
SCHEMBL782257 0.82 AVPR1A (0.39) EDNRAEDNRBNPY5RKDM4E
SCHEMBL782237 0.82 CHEK1 (0.38) EDNRAEDNRBPTGS1ALDH1A1MAOB
SCHEMBL782477 0.80 NPY5R (0.31) NPY5R

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 5 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

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 EDNRA 2764/4885EDNRB 4102/4885ME2 3079/4885

“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.