SCHEMBL868557

SCHEMBL868557

CC1(C)OC(C)(C)C(=Cc2cc(-c3ccc(Cl)cc3Cl)ccc2C2CC2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
CNR1 P21554 9/20 0.33
CNR2 P34972 9/20 0.33
PTGS2 P35354 1/20 0.33
KCNH2 Q12809 3/20 0.33
MAPT P10636 2/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MGLL Q99685 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL868556 1.00 EDNRB (0.34) EDNRBEDNRACNR1CNR2PTGS2
SCHEMBL10121167 1.00 EDNRB (0.34) EDNRBEDNRACNR1CNR2PTGS2
SCHEMBL867677 0.90 GPBAR1 (0.33) PTGS2
SCHEMBL10121145 0.90 GPBAR1 (0.33) PTGS2
SCHEMBL867678 0.90 GPBAR1 (0.33) PTGS2
SCHEMBL10121175 0.82 CNR1 (0.33) CNR1CNR2PTGS2MAPTALDH1A1
SCHEMBL869054 0.82 CNR1 (0.33) CNR1CNR2PTGS2MAPTALDH1A1
SCHEMBL869053 0.82 CNR1 (0.33) CNR1CNR2PTGS2MAPTALDH1A1
SCHEMBL10121157 0.77 EDNRB (0.39) EDNRBEDNRACNR1CNR2PTGS2
SCHEMBL29435275 0.77 EDNRB (0.39) EDNRBEDNRACNR1CNR2PTGS2

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-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-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES SYNGENTA LIMITED (US) 2013-05-30 US disclosed
US-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES SYNGENTA LIMITED (US) 2013-05-30 US disclosed
EP-2523555-A2 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES Syngenta Limited (GB) 2012-11-21 EP disclosed
US-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-29 US disclosed
WO-2011073616-A2 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES SYNGENTA LIMITED (GB) 2011-06-23 WO disclosed
WO-2011073616-A2 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES SYNGENTA LIMITED (GB) 2011-06-23 WO 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 (3 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 EDNRB 3491/4885EDNRA 1810/4885CNR1 1599/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 EDNRB 4107/4885EDNRA 2919/4885CNR1 1512/4885
US-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES FOXM1, ARSA, RPS21 EDNRB 2387/4885EDNRA 2144/4885CNR1 2913/4885

“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.