SCHEMBL782391

SCHEMBL782391

CCOC(=O)OC1=C(c2cccc(Cl)c2)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
ALOX5 P09917 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPY5R Q15761 2/20 0.36
HSD17B10 Q99714 1/20 0.35
GRM5 P41594 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
MAPT P10636 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
XPO1 O14980 1/20 0.35

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
SCHEMBL782498 0.86 HTT (0.38) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL782286 0.85 KMT2A (0.33) MEN1KMT2AALDH1A1HSD17B10
SCHEMBL782423 0.83 OPRM1 (0.36) MEN1KMT2AALDH1A1NPY5RMAPT
SCHEMBL782179 0.83 MAPT (0.40) MEN1KMT2AALDH1A1NPY5RHSP90AA1
SCHEMBL782580 0.83 ALDH1A1 (0.33) KCNH2MEN1KMT2AALDH1A1MAPT
SCHEMBL13081170 0.83 KMT2A (0.35) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL782306 0.82 TSHR (0.38) ALOX5MEN1KMT2AALDH1A1NPY5R
SCHEMBL782390 0.82 ALDH1A1 (0.40) KMT2AALDH1A1KDM4E
SCHEMBL782427 0.82 KDM4E (0.44) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL782197 0.82 TSHR (0.37) MEN1KMT2AALDH1A1NPY5RKDM4E

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 KCNH2 360/4885ALOX5 2033/4885MEN1 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.