SCHEMBL782609

SCHEMBL782609

CCOC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCN(OCc1ccccc1)CC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.35
ELANE P08246 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL782350 0.90 MEN1 (0.31) MEN1KMT2A
SCHEMBL782511 0.90 HDAC3 (0.33) MEN1KMT2AALDH1A1GAA
SCHEMBL768851 0.86 KMT2A (0.33) MEN1KMT2AALDH1A1GAA
SCHEMBL782407 0.85 GABRA1 (0.31) KMT2A
SCHEMBL782624 0.84 SIGMAR1 (0.34) SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL782541 0.80 KMT2A (0.31) KMT2A
SCHEMBL782586 0.80 CRHR1 (0.34) ELANEALDH1A1PKM
SCHEMBL782286 0.79 KMT2A (0.33) SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL782580 0.79 ALDH1A1 (0.33) SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL782392 0.78 HSD11B1 (0.33) MEN1KMT2AALDH1A1

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 SIGMAR1 371/4885ELANE 3558/4885MEN1 1302/4885

“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.