SCHEMBL782630

SCHEMBL782630

COC(=O)C1(OC(=O)Cc2ccc(C)cc2C)CCN(OCc2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN2B Q13224 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
GFER P55789 1/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9289301 0.88 HTT (0.37) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL782430 0.86 MAPT (0.35) NPC1RAB9AMEN1KMT2AGRIN2B
SCHEMBL782510 0.77 MEN1 (0.33) MEN1KMT2AADRA1DADRA1AGAA
SCHEMBL782549 0.74 MAPK8 (0.39) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL13548045 0.73 HTT (0.41) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL782276 0.73 HDAC3 (0.35) HTTMEN1KMT2A
SCHEMBL9289378 0.73 OPRK1 (0.35) HTTSMN1; SMN2
SCHEMBL782588 0.72 HTT (0.41) NPC1RAB9AHTTSMN1; SMN2
SCHEMBL782313 0.71 STS (0.43) HTTMEN1KMT2ASMN1; SMN2
SCHEMBL782512 0.70 HTT (0.30) HTT

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 4 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

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 PSMB8 3305/4885PSMB5 2647/4885NPC1 1873/4885

“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.