SCHEMBL782644

SCHEMBL782644

CCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCN(OCCOC)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
OPRM1 P35372 3/20 0.32
OPRD1 P41143 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL782117 0.90 MEN1 (0.37) L3MBTL1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL769209 0.88 MEN1 (0.37) L3MBTL1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL782276 0.85 HDAC3 (0.35) L3MBTL1MEN1KMT2AMAPK1OPRM1
SCHEMBL9286636 0.83
SCHEMBL734042 0.82 MEN1 (0.31) L3MBTL1MEN1KMT2AMAPK1KDM4E
SCHEMBL782724 0.81 DRD2 (0.31)
SCHEMBL21553359 0.81 NLRP3 (0.36) L3MBTL1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL782639 0.80 STS (0.33)
SCHEMBL5485798 0.80 NLRP3 (0.35) L3MBTL1MEN1KMT2AMAPK1KDM4E
SCHEMBL8578003 0.79 MEN1 (0.32) L3MBTL1MEN1KMT2AMAPK1ALDH1A1

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 6 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
WO-2012069008-A1 3-SUBSTITUTED SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO 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 L3MBTL1 3639/4885MEN1 1302/4885KMT2A 4234/4885

“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.