SCHEMBL782117

SCHEMBL782117

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
OPRM1 P35372 7/20 0.34
OPRD1 P41143 4/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
OPRK1 P41145 3/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
NLRP3 Q96P20 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
SCHEMBL782276 0.92 HDAC3 (0.35) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL769209 0.91 MEN1 (0.37) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL782644 0.90 L3MBTL1 (0.34) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL21553359 0.85 NLRP3 (0.36) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL5485798 0.84 NLRP3 (0.35) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL9286737 0.83 HDAC3 (0.34) MEN1KMT2AMAPK1L3MBTL1GAA
SCHEMBL8206373 0.83 NLRP3 (0.35) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL8579826 0.82 MEN1 (0.33) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL8578003 0.81 MEN1 (0.32) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL782652 0.81 STS (0.35) MEN1KMT2AMAPK1L3MBTL1HDAC3

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 MEN1 1302/4885KMT2A 4234/4885MAPK1 3408/4885

“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.