SCHEMBL782430

SCHEMBL782430

COC(=O)C1(OC(=O)Cc2ccc(C)cc2C)CCN(OC)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
P2RX7 Q99572 1/20 0.34
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MMP1 P03956 1/20 0.33
MEN1 O00255 2/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
GRIN2B Q13224 1/20 0.32
COMT P21964 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL782510 0.91 MEN1 (0.33) L3MBTL1KMT2AFFAR4MEN1GAA
SCHEMBL782549 0.87 MAPK8 (0.39) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL782630 0.86 PSMB8 (0.37) NPC1RAB9AKMT2AMEN1GRIN2B
SCHEMBL769717 0.82 SMN1; SMN2 (0.40) MAPTL3MBTL1KMT2APOLBFFAR4
SCHEMBL782509 0.81 RAB9A (0.32) RAB9APOLB
SCHEMBL782542 0.81 KMT2A (0.45) L3MBTL1P2RX7KMT2AMEN1GAA
SCHEMBL782328 0.80 KCNH2 (0.33) MAPTL3MBTL1KMT2AMEN1GAA
SCHEMBL46121 0.80 MAPT (0.34) MAPTNPC1RAB9AL3MBTL1P2RX7
SCHEMBL9290201 0.80 EPHX2 (0.34) MAPTL3MBTL1KMT2APOLBFFAR4
SCHEMBL46337 0.80 OPRM1 (0.35) MAPTNPC1RAB9AL3MBTL1P2RX7

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 MAPT 4543/4885NPC1 1873/4885RAB9A 2032/4885

“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.