SCHEMBL868613

SCHEMBL868613

O=Cc1cc(-c2ccc(Cl)cc2Cl)ccc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
AHR P35869 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SRD5A2 P31213 1/20 0.38
XDH P47989 1/20 0.36
ERN1 O75460 2/20 0.36
CNR1 P21554 2/20 0.34
MARS1 P56192 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SHMT1 P34896 1/20 0.34
SHMT2 P34897 1/20 0.34

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
SCHEMBL868787 0.86 OPRL1 (0.38) TDP1XDHERN1CNR1
SCHEMBL27890079 0.84 ERN1 (0.46) TDP1ALDH1A1ERN1KMT2A
SCHEMBL868259 0.76 ERN1 (0.66) TDP1AHRSRD5A2ERN1
SCHEMBL10121167 0.76 EDNRB (0.34) EDNRBEDNRAMAPTALDH1A1SLC6A3
SCHEMBL868556 0.76 EDNRB (0.34) EDNRBEDNRAMAPTALDH1A1SLC6A3
SCHEMBL868557 0.76 EDNRB (0.34) EDNRBEDNRAMAPTALDH1A1SLC6A3
SCHEMBL19696070 0.75 ERN1 (0.46) TDP1ERN1
SCHEMBL1319794 0.75 EDNRB (0.41) EDNRBEDNRAAHRALDH1A1SLC6A3
SCHEMBL868480 0.74 TDP1 (0.47) TDP1AHRMAPTALDH1A1SRD5A2
SCHEMBL15813317 0.73 TDP1 (0.53) TDP1MAPTERN1

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 20 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-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
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
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-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 TDP1 1099/4885EDNRB 3491/4885EDNRA 1810/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 TDP1 659/4885EDNRB 4107/4885EDNRA 2919/4885
US-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES FOXM1, ARSA, RPS21 TDP1 3941/4885EDNRB 2387/4885EDNRA 2144/4885

“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.