SCHEMBL1412428

SCHEMBL1412428

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1CC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALOX15 P16050 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
UCHL1 P09936 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
TARBP2 Q15633 1/20 0.46
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL3738939 0.92 CYP19A1 (0.53) CYP19A1SMN1; SMN2ALOX15L3MBTL1POLB
SCHEMBL22817052 0.90 CYP19A1 (0.51) CYP19A1SMN1; SMN2ALOX15L3MBTL1POLB
SCHEMBL22817057 0.89 CYP19A1 (0.50) CYP19A1SMN1; SMN2ALOX15L3MBTL1POLB
SCHEMBL4226447 0.88 CYP19A1 (0.56) CYP19A1SMN1; SMN2ALOX15L3MBTL1POLB
SCHEMBL23028376 0.88 CYP19A1 (0.60) CYP19A1SMN1; SMN2ALOX15L3MBTL1POLB
SCHEMBL23001702 0.87 CYP19A1 (0.48) CYP19A1SMN1; SMN2ALOX15L3MBTL1POLB
SCHEMBL22608290 0.86 CYP19A1 (0.55) CYP19A1SMN1; SMN2ALOX15L3MBTL1POLB
SCHEMBL1412496 0.86 CYP19A1 (0.55) CYP19A1SMN1; SMN2ALOX15L3MBTL1POLB
SCHEMBL7822911 0.86 CYP19A1 (0.55) CYP19A1SMN1; SMN2ALOX15L3MBTL1POLB
SCHEMBL5517220 0.86 UCHL1 (0.55) CYP19A1SMN1; SMN2ALOX15L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991542-B1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LTD (GB) 2011-03-16 EP disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
EP-1991542-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS Syngenta Limited (GB) 2008-11-19 EP disclosed
EP-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 WO disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 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-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS CYP4X1, RDX, HAX1 CYP19A1 250/4885SMN1; SMN2 3621/4885ALOX15 2655/4885
US-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 CYP19A1 228/4885SMN1; SMN2 4014/4885ALOX15 2586/4885

“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.