SCHEMBL414952

SCHEMBL414952

CC1(C)OC(C)(C)/C(=C\c2cc(Br)ccc2OC(F)(F)F)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.37
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
PPARG P37231 1/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
PLEC Q15149 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PTP4A3 O75365 2/20 0.32
AMY1A P0DUB6 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL414953 1.00 PTPN1 (0.37) PTPN1PTPN2PTPN6PPARGLMNA
SCHEMBL869076 0.83 MEN1 (0.35) PTPN1PTPN2PTPN6PPARGLMNA
SCHEMBL869077 0.83 MEN1 (0.35) PTPN1PTPN2PTPN6PPARGLMNA
SCHEMBL868616 0.79 LMNA (0.38) PTPN1LMNAGAASMN1; SMN2MEN1
SCHEMBL868617 0.79 LMNA (0.38) PTPN1LMNAGAASMN1; SMN2MEN1
SCHEMBL868560 0.77 LMNA (0.38) PTPN1LMNAGAASMN1; SMN2MEN1
SCHEMBL868559 0.77 LMNA (0.38) PTPN1LMNAGAASMN1; SMN2MEN1
SCHEMBL867010 0.76 LMNA (0.38) LMNAGAASMN1; SMN2MEN1KMT2A
SCHEMBL867011 0.76 LMNA (0.38) LMNAGAASMN1; SMN2MEN1KMT2A
SCHEMBL15821920 0.75 LMNA (0.39) PTPN1LMNAGAASMN1; SMN2MEN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP 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-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 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-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-29 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2387569-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-11-23 EP 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
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 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 (4 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 PTPN1 636/4885PTPN2 947/4885PTPN6 1335/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 PTPN1 420/4885PTPN2 722/4885PTPN6 1024/4885
US-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PTPN1 227/4885PTPN2 317/4885PTPN6 495/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PTPN1 374/4885PTPN2 549/4885PTPN6 766/4885

“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.