SCHEMBL868616

SCHEMBL868616

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
PLEC Q15149 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.31
PTPN1 P18031 2/20 0.31
ABCC9 O60706 1/20 0.31
KCNJ11 Q14654 1/20 0.31
PDE7A Q13946 1/20 0.30

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
SCHEMBL868617 1.00 LMNA (0.38) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL868559 0.83 LMNA (0.38) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL868560 0.83 LMNA (0.38) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL867010 0.82 LMNA (0.38) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL867011 0.82 LMNA (0.38) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL15821921 0.81 LMNA (0.39) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL15821920 0.81 LMNA (0.39) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL414952 0.79 PTPN1 (0.37) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL869077 0.79 MEN1 (0.35) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL414953 0.79 PTPN1 (0.37) LMNASMN1; SMN2GAAMEN1KMT2A

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 LMNA 2623/4885SMN1; SMN2 4281/4885GAA 2609/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 LMNA 2914/4885SMN1; SMN2 3798/4885GAA 2250/4885

“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.