SCHEMBL867734

SCHEMBL867734

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP2 O95551 1/20 0.32
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
MET P08581 1/20 0.31

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
SCHEMBL3024626 0.83 LMNA (0.40) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL868610 0.81 LMNA (0.39) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL3035400 0.81 LMNA (0.39) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL410941 0.80 LMNA (0.38) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL15821710 0.79 MAPK1 (0.37) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL412386 0.79 ALDH1A1 (0.38) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL402954 0.77 TSHR (0.40) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL419374 0.75 ALDH1A1 (0.39) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL869294 0.75 MEN1 (0.39) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL867438 0.72 LMNA (0.37) LMNAMAPK1ALDH1A1TSHRPOLB

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-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-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
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 LMNA 2623/4885MAPK1 1464/4885ALDH1A1 39/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 LMNA 2914/4885MAPK1 1509/4885ALDH1A1 26/4885

“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.