SCHEMBL782350

SCHEMBL782350

Cc1cc(C)c(C2=C(OC(=O)OC(C)C)C3(CCN(OCc4ccccc4)CC3)OC2=O)c(C)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MDM2 Q00987 1/20 0.30
EPHX2 P34913 1/20 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
SCHEMBL782609 0.90 SIGMAR1 (0.35) MEN1KMT2A
SCHEMBL782624 0.81 SIGMAR1 (0.34) MEN1KMT2A
SCHEMBL782511 0.80 HDAC3 (0.33) MEN1KMT2AOPRD1
SCHEMBL768851 0.76 KMT2A (0.33) MEN1KMT2AOPRD1
SCHEMBL782407 0.76 GABRA1 (0.31) KMT2A
SCHEMBL13052304 0.74 POLB (0.32)
SCHEMBL27381212 0.72 MCHR1 (0.36) MDM2
SCHEMBL27376607 0.72 MCHR1 (0.36) MDM2
SCHEMBL27376739 0.72 MCHR1 (0.36) MDM2
SCHEMBL13052291 0.72 HDAC3 (0.32)

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 5 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-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 4234/4885MDM2 2346/4885

“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.