SCHEMBL868610

SCHEMBL868610

CC1(C)OC(C)(C)C(=O)C(c2cc(Br)ccc2F)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
ABCC9 O60706 1/20 0.35
KCNJ11 Q14654 1/20 0.35
BACE1 P56817 3/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DGAT1 O75907 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL3024626 0.83 LMNA (0.40) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL3035400 0.81 LMNA (0.39) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL867734 0.81 LMNA (0.39) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL410941 0.80 LMNA (0.38) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL15821710 0.79 MAPK1 (0.37) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL412386 0.79 ALDH1A1 (0.38) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL419374 0.77 ALDH1A1 (0.39) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL869294 0.77 MEN1 (0.39) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL402954 0.77 TSHR (0.40) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL402927 0.72 TP53 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2

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 1464/4885MEN1 4280/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 LMNA 2914/4885MAPK1 1509/4885MEN1 4328/4885

“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.