SCHEMBL782286

SCHEMBL782286

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
CUL4A Q13619 2/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL13081170 0.95 KMT2A (0.35) KMT2AMEN1CUL4AALDH1A1TSHR
SCHEMBL768851 0.93 KMT2A (0.33) KMT2AMEN1ALDH1A1TP53L3MBTL1
SCHEMBL782386 0.91 CUL4A (0.31) KMT2AMEN1CUL4ATSHRL3MBTL1
SCHEMBL782392 0.91 HSD11B1 (0.33) KMT2AMEN1CUL4AALDH1A1TP53
SCHEMBL782580 0.90 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1TP53L3MBTL1
SCHEMBL782433 0.89 CUL4A (0.32) KMT2AMEN1CUL4AALDH1A1TSHR
SCHEMBL782396 0.88 HDAC3 (0.31) KMT2AALDH1A1
SCHEMBL782227 0.88 KMT2A (0.30) KMT2A
SCHEMBL782428 0.88 KDM4E (0.35) KMT2AMEN1ALDH1A1TSHRL3MBTL1
SCHEMBL782395 0.87 CUL4A (0.33) KMT2AMEN1CUL4AALDH1A1TSHR

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 KMT2A 4234/4885MEN1 1302/4885CUL4A 3434/4885

“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.