SCHEMBL782257

SCHEMBL782257

COc1ccc(Cl)c(C2=C(O)C3(CCN(OC)CC3)OC2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.39
HRH3 Q9Y5N1 2/20 0.38
EDNRA P25101 3/20 0.37
EDNRB P24530 1/20 0.37
PPIB P23284 1/20 0.37
NPY5R Q15761 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KLK7 P49862 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
HTR2C P28335 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL782235 0.85 NPY5R (0.38) AVPR1ANPY5RHSP90AA1HSP90AB1
SCHEMBL9286913 0.85 ACACB (0.39) EDNRAEDNRBNPY5R
SCHEMBL782595 0.82 PTGS2 (0.42) AVPR1ANPY5RMAPTTP53POLB
SCHEMBL782234 0.82 EDNRA (0.44) EDNRAEDNRBNPY5RKDM4E
SCHEMBL782385 0.81 THRB (0.37) AVPR1ANPY5RMAPTPOLBLMNA
SCHEMBL782250 0.81 SSTR5 (0.34) HRH3NPY5RKDM4ELMNA
SCHEMBL9290195 0.81 NOTUM (0.37) KDM4E
SCHEMBL782401 0.81 EDNRA (0.43) EDNRAEDNRBMAPTPOLBLMNA
SCHEMBL782237 0.80 CHEK1 (0.38) AVPR1AEDNRAEDNRBMAPTTSHR
SCHEMBL782502 0.80 ACACB (0.31) MAPTKMT2A

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 AVPR1A 1446/4885HRH3 4447/4885EDNRA 2764/4885

“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.