SCHEMBL869077

SCHEMBL869077

CC1(C)OC(C)(C)C(=Cc2cc(Br)ccc2OC(F)F)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTPN1 P18031 6/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
AMY1A P0DUB6 1/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 3/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BLM P54132 1/20 0.33
PLEC Q15149 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN6 P29350 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
SCHEMBL869076 1.00 MEN1 (0.35) MEN1KMT2APTPN1LMNASMN1; SMN2
SCHEMBL414952 0.83 PTPN1 (0.37) MEN1KMT2APTPN1LMNASMN1; SMN2
SCHEMBL414953 0.83 PTPN1 (0.37) MEN1KMT2APTPN1LMNASMN1; SMN2
SCHEMBL868616 0.79 LMNA (0.38) MEN1KMT2APTPN1LMNASMN1; SMN2
SCHEMBL868617 0.79 LMNA (0.38) MEN1KMT2APTPN1LMNASMN1; SMN2
SCHEMBL10144354 0.79 MEN1 (0.34) MEN1KMT2APTPN1LMNASMN1; SMN2
SCHEMBL868560 0.77 LMNA (0.38) MEN1KMT2APTPN1LMNASMN1; SMN2
SCHEMBL868559 0.77 LMNA (0.38) MEN1KMT2APTPN1LMNASMN1; SMN2
SCHEMBL867011 0.76 LMNA (0.38) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL867010 0.76 LMNA (0.38) MEN1KMT2ALMNASMN1; SMN2GAA

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 11 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-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-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
WO-2010136431-A9 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2011-03-10 WO disclosed
WO-2010136431-A9 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2011-03-10 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 MEN1 4280/4885KMT2A 4394/4885PTPN1 636/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 MEN1 4328/4885KMT2A 4398/4885PTPN1 420/4885

“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.