SCHEMBL1412460

SCHEMBL1412460

CCOC(=O)c1c(C(F)(F)F)nnn1CC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.41
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.36
IDO1 P14902 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
POLB P06746 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL26846962 0.87 MAPK1 (0.52) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL1412598 0.85 KDM4E (0.42) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL1412409 0.85 HPGD (0.42) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL1412550 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDMAPK1MAPT
SCHEMBL9915129 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL26034982 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDNPC1MAPK1
SCHEMBL1412609 0.82 LMNA (0.45) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL4785326 0.82 CYP19A1 (0.57) KDM4EALDH1A1HPGDMAPK1LMNA
SCHEMBL1412543 0.79 KDM4E (0.47) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL22276532 0.79 KDM4E (0.44) KDM4EALDH1A1HPGDMAPK1MAPT

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 5 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
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 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 KDM4E 2140/4885ALDH1A1 328/4885HPGD 1172/4885
US-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 KDM4E 1271/4885ALDH1A1 271/4885HPGD 1388/4885

“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.