SCHEMBL782652

SCHEMBL782652

CCON1CCC(C#N)(OC(=O)Cc2c(C)cc(C)cc2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL769315 0.88 STS (0.36) STSFFAR4
SCHEMBL782639 0.88 STS (0.33) STS
SCHEMBL782313 0.85 STS (0.43) STSMEN1KMT2AL3MBTL1
SCHEMBL9286737 0.82 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL782117 0.81 MEN1 (0.37) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL782276 0.80 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL247704 0.79 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC6
SCHEMBL9289037 0.77 STS (0.35) STS
SCHEMBL782646 0.77 STS (0.37) STSFFAR4
SCHEMBL782665 0.75 STS (0.33) STS

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 4 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
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 STS 76/4885HDAC3 348/4885HDAC1 100/4885

“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.