SCHEMBL782401

SCHEMBL782401

CON1CCC2(CC1)OC(=O)C(c1ccc(Cl)c(Cl)c1)=C2O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.43
EDNRB P24530 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
SLC6A3 Q01959 6/20 0.34
SLC6A4 P31645 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 2/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL782237 0.90 CHEK1 (0.38) EDNRAEDNRBPTGS1PTGS2ALDH1A1
SCHEMBL782600 0.87 EDNRA (0.40) EDNRAPTGS2SMN1; SMN2
SCHEMBL782373 0.86 NPY5R (0.39) SLC6A3ALDH1A1SMN1; SMN2MAPTSLC6A2
SCHEMBL782477 0.84 NPY5R (0.31)
SCHEMBL782249 0.84 CYP19A1 (0.45) EDNRAEDNRBALDH1A1LMNAHPGD
SCHEMBL9286913 0.84 ACACB (0.39) EDNRAEDNRBPTGS2
SCHEMBL782610 0.83 EDNRA (0.39) EDNRAEDNRBPTGS1PTGS2ALDH1A1
SCHEMBL782599 0.82 PTGS2 (0.39) PTGS1PTGS2
SCHEMBL782361 0.82 NPY5R (0.32) ALDH1A1LMNAMAPTNOTUM
SCHEMBL782377 0.82 PTGS2 (0.39) EDNRAEDNRBPTGS2LMNASMN1; SMN2

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 EDNRA 2764/4885EDNRB 4102/4885PTGS1 889/4885

“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.