SCHEMBL782407

SCHEMBL782407

CCOC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCN(OCCOC)CC2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 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
SCHEMBL782511 0.91 HDAC3 (0.33) L3MBTL1TP53KMT2A
SCHEMBL768851 0.89 KMT2A (0.33) L3MBTL1TP53KMT2A
SCHEMBL782609 0.85 SIGMAR1 (0.35) KMT2A
SCHEMBL734041 0.84 KMT2A (0.33) GABRA1GABRG2GABRB3L3MBTL1TP53
SCHEMBL782541 0.84 KMT2A (0.31) KMT2A
SCHEMBL782597 0.83 POLB (0.31)
SCHEMBL782586 0.83 CRHR1 (0.34) GABRA1GABRG2GABRB3TP53
SCHEMBL782286 0.82 KMT2A (0.33) L3MBTL1TP53KMT2A
SCHEMBL782417 0.82 TP53 (0.31) L3MBTL1TP53KMT2A
SCHEMBL782392 0.82 HSD11B1 (0.33) L3MBTL1TP53KMT2A

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
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 GABRA1 1382/4885GABRG2 2462/4885GABRB3 1840/4885

“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.