SCHEMBL1412409

SCHEMBL1412409

CCOC(=O)c1c(C(F)(F)F)nnn1CCOC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
PTGER4 P35408 1/20 0.42
HCAR3 P49019 1/20 0.39
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 3/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 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
SCHEMBL1412460 0.85 KDM4E (0.46) HPGDKDM4EALDH1A1TSHRMAPK1
SCHEMBL26846962 0.81 MAPK1 (0.52) HPGDKDM4EALDH1A1HSD17B10TSHR
SCHEMBL1412550 0.80 KDM4E (0.47) HPGDKDM4EALDH1A1USP2MAPK1
SCHEMBL1412598 0.79 KDM4E (0.42) HPGDKDM4EALDH1A1TSHRMAPK1
SCHEMBL20531569 0.79 GAA (0.45) KDM4EALDH1A1SMN1; SMN2LMNATP53
SCHEMBL9915129 0.76 KDM4E (0.46) HPGDKDM4EALDH1A1TSHRMAPK1
SCHEMBL26034982 0.76 KDM4E (0.46) HPGDKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL4785326 0.76 CYP19A1 (0.57) HPGDKDM4EALDH1A1PTGER4SMN1; SMN2
SCHEMBL1412609 0.76 LMNA (0.45) HPGDKDM4EALDH1A1TSHRMAPK1
SCHEMBL1412486 0.76 UCHL1 (0.52) HPGDKDM4EALDH1A1PTGER4USP2

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 HPGD 1172/4885KDM4E 2140/4885ALDH1A1 328/4885
US-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 HPGD 1388/4885KDM4E 1271/4885ALDH1A1 271/4885

“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.