SCHEMBL782237

SCHEMBL782237

COc1cc(C2=C(O)C3(CCN(OC)CC3)OC2=O)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
EDNRA P25101 3/20 0.37
EDNRB P24530 2/20 0.37
CYP19A1 P11511 2/20 0.35
RAD51 Q06609 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
RIPK2 O43353 1/20 0.34
TSHR P16473 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
KMO O15229 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAOB P27338 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
AVPR1A P37288 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL782249 0.90 CYP19A1 (0.45) EDNRAEDNRBCYP19A1ALDH1A1MAPT
SCHEMBL782401 0.90 EDNRA (0.43) EDNRAEDNRBALDH1A1MAPTTSHR
SCHEMBL782600 0.84 EDNRA (0.40) EDNRAPTGS2AVPR1A
SCHEMBL782373 0.83 NPY5R (0.39) ALDH1A1MAPT
SCHEMBL782477 0.82 NPY5R (0.31)
SCHEMBL782234 0.82 EDNRA (0.44) EDNRAEDNRBALDH1A1PTGS1MAOB
SCHEMBL9286913 0.81 ACACB (0.39) EDNRAEDNRBPTGS2
SCHEMBL782257 0.80 AVPR1A (0.39) EDNRAEDNRBMAPTTSHRAVPR1A
SCHEMBL782610 0.80 EDNRA (0.39) EDNRAEDNRBALDH1A1TSHRPTGS1
SCHEMBL782361 0.79 NPY5R (0.32) ALDH1A1MAPTRECQL

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 CHEK1 2316/4885EDNRA 2764/4885EDNRB 4102/4885

“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.