SCHEMBL868259

SCHEMBL868259

O=Cc1cc(-c2ccc(Cl)cc2Cl)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.66
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SRD5A2 P31213 1/20 0.45
AHR P35869 1/20 0.44

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
SCHEMBL868189 0.84 ERN1 (0.62) ERN1HSD17B10
SCHEMBL12834084 0.82 ERN1 (0.57) ERN1TDP1
SCHEMBL14091642 0.81 ERN1 (0.61) ERN1
SCHEMBL11252567 0.81 ERN1 (0.71) ERN1
SCHEMBL247839 0.80 ERN1 (1.00) ERN1TDP1TSHRHSD17B10
SCHEMBL29694515 0.80 ERN1 (1.00) ERN1TDP1TSHRHSD17B10
SCHEMBL27925777 0.80 ERN1 (1.00) ERN1TDP1TSHRHSD17B10
SCHEMBL11530954 0.79 ERN1 (0.96) ERN1TDP1TSHRHSD17B10
SCHEMBL11407251 0.79 ERN1 (0.96) ERN1TDP1TSHRHSD17B10
SCHEMBL868480 0.78 TDP1 (0.47) ERN1TDP1TSHRHSD17B10SRD5A2

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 21 patents — showing the first 20. 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
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
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 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 ERN1 1431/4885TDP1 1099/4885TSHR 884/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 ERN1 1441/4885TDP1 659/4885TSHR 983/4885
US-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES FOXM1, ARSA, RPS21 ERN1 2822/4885TDP1 3941/4885TSHR 1329/4885

“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.