SCHEMBL10121069

SCHEMBL10121069

CC1(C)OC(C)(C)C(O)=C(c2cc(Br)ccc2I)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
PLEC Q15149 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESR2 Q92731 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
ESR1 P03372 1/20 0.33
S100A4 P26447 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
SCHEMBL13219206 0.84 CA9 (0.38) CA9CA1CA2CA4CA7
SCHEMBL10121115 0.83 NMUR2 (0.40) CA9CA1CA2CA4CA7
SCHEMBL13219208 0.83 CA1 (0.37) CA9CA1CA2CA4CA7
SCHEMBL10121047 0.82 CA1 (0.36) CA9CA1CA2CA4CA7
SCHEMBL17300359 0.82 CA9 (0.38) CA9CA1CA2CA4CA7
SCHEMBL10192820 0.81 CA1 (0.37) CA9CA1CA2CA4CA7
SCHEMBL10195063 0.79 CA1 (0.34) CA9CA1CA2CA4CA7
SCHEMBL10121185 0.77 PTGER1 (0.35) CA9CA1CA2CA4CA7
SCHEMBL10121083 0.77 MAOA (0.33) CA9CA1CA2CA4CA7
SCHEMBL12129160 0.75 ACACB (0.38) LMNAKDM4EMEN1POLBMAPT

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-8987476-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2015-03-24 US disclosed
US-8987476-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2015-03-24 US disclosed
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2014-05-15 US disclosed
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2014-05-15 US disclosed
US-8680299-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680299-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-29 US disclosed
US-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-29 US disclosed
WO-2010136431-A9 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2011-03-10 WO disclosed
WO-2010136431-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 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 (2 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-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, CYP1B1 CA9 2584/4885CA1 2525/4885CA2 2555/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 CA9 2987/4885CA1 1845/4885CA2 2062/4885

“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.