SCHEMBL782276

SCHEMBL782276

CCON1CCC(OC(=O)Cc2c(C)cc(C)cc2C)(C(=O)OC)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1C Q13936 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NLRP3 Q96P20 1/20 0.32
NR1I2 O75469 1/20 0.31
EPHX2 P34913 1/20 0.31
P2RX7 Q99572 1/20 0.31
OPRM1 P35372 3/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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 0.92 MEN1 (0.37) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL782512 0.87 HTT (0.30) HTT
SCHEMBL9289301 0.85 HTT (0.37) MEN1KMT2ACACNA1CHTTEPHX2
SCHEMBL769209 0.85 MEN1 (0.37) MEN1KMT2AMAPK1L3MBTL1NLRP3
SCHEMBL782644 0.85 L3MBTL1 (0.34) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL782509 0.83 RAB9A (0.32) EPHX2
SCHEMBL9286737 0.82 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL9290201 0.82 EPHX2 (0.34) MEN1KMT2AMAPK1L3MBTL1EPHX2
SCHEMBL782506 0.81 ALDH1A1 (0.32) MEN1KMT2A
SCHEMBL247909 0.80 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC6MEN1

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 HDAC3 348/4885HDAC1 100/4885HDAC2 470/4885

“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.