SCHEMBL782249

SCHEMBL782249

COc1ccc(C2=C(O)C3(CCN(OC)CC3)OC2=O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
EDNRB P24530 3/20 0.42
EDNRA P25101 3/20 0.42
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
FYN P06241 1/20 0.37
ABCB1 P08183 2/20 0.37
GLA P06280 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37

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) CYP19A1EDNRBEDNRAALDH1A1MAPT
SCHEMBL782401 0.84 EDNRA (0.43) EDNRBEDNRAALDH1A1MAPTHPGD
SCHEMBL782610 0.83 EDNRA (0.39) EDNRBEDNRAMEN1ALDH1A1HPGD
SCHEMBL782600 0.82 EDNRA (0.40) EDNRAKDM4ESMN1; SMN2AVPR1A
SCHEMBL782377 0.82 PTGS2 (0.39) EDNRBEDNRAKDM4EMEN1MAPT
SCHEMBL782356 0.82 MAPT (0.37) EDNRAALDH1A1MAPTKMT2ALMNA
SCHEMBL782373 0.81 NPY5R (0.39) ALDH1A1MAPTSMN1; SMN2GSK3B
SCHEMBL782243 0.81 NPY5R (0.42) KDM4EMEN1ALDH1A1CYP3A4HPGD
SCHEMBL782477 0.80 NPY5R (0.31)
SCHEMBL782614 0.76 AVPR1A (0.36) MAPTLMNATP53THRBAVPR1A

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 CYP19A1 17/4885EDNRB 4102/4885EDNRA 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.