SCHEMBL769717

SCHEMBL769717

CCOC(=O)C1(OC(=O)Cc2cc(C)ccc2C)CCN(OC)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
OPRM1 P35372 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MDM2 Q00987 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NLRP3 Q96P20 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
POLB P06746 1/20 0.34
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33

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
SCHEMBL782518 0.88 L3MBTL1 (0.40) OPRM1L3MBTL1MEN1KMT2APOLB
SCHEMBL782510 0.84 MEN1 (0.33) SMN1; SMN2GAAALOX12OPRM1L3MBTL1
SCHEMBL769209 0.83 MEN1 (0.37) GAAOPRM1L3MBTL1MEN1KMT2A
SCHEMBL782430 0.82 MAPT (0.35) SMN1; SMN2GAAALOX12L3MBTL1MAPT
SCHEMBL782549 0.80 MAPK8 (0.39) GAAL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL9289348 0.78 FFAR4 (0.40) MEN1KMT2ATSHRFFAR4KCNH2
SCHEMBL8580757 0.76 SMN1; SMN2 (0.35) SMN1; SMN2GAAALOX12OPRM1L3MBTL1
SCHEMBL37524 0.76 OPRM1 (0.33) SMN1; SMN2OPRM1MEN1KMT2AMDM2
SCHEMBL37485 0.76 OPRM1 (0.35) SMN1; SMN2OPRM1MEN1KMT2AMDM2
SCHEMBL9883920 0.76 OPRM1 (0.36) SMN1; SMN2GAAALOX12OPRM1TP53

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 10 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-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
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
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
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 SMN1; SMN2 2021/4885GAA 4299/4885ALOX12 2065/4885

“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.