SCHEMBL125773

SCHEMBL125773

CCOC(=O)c1cc2ccc(C(F)(F)F)nc2nc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
TSHR P16473 3/20 0.41
IDO1 P14902 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 4/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 3/20 0.39
SYK P43405 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MIF P14174 1/20 0.38
PFKFB3 Q16875 1/20 0.38
TGFBR1 P36897 1/20 0.38
GAA P10253 2/20 0.38
MAOB P27338 1/20 0.38
GLA P06280 1/20 0.38
FOS P01100 2/20 0.38
JUN P05412 2/20 0.38
NFKB1 P19838 2/20 0.38

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
SCHEMBL127103 0.86 IDO1 (0.53) KDM4ETSHRIDO1NPSR1HPGD
SCHEMBL126502 0.84 GABRP (0.43) KDM4EHPGDHSD17B10SYKALDH1A1
SCHEMBL123367 0.79 KDM4E (0.53) KDM4ETSHRIDO1NPSR1HPGD
SCHEMBL124183 0.78 NPC1 (0.43) KDM4ETSHRNPSR1HPGDCASP1
SCHEMBL125663 0.77 KDM4E (0.53) KDM4ETSHRIDO1NPSR1HPGD
SCHEMBL31697314 0.76 KDM4E (0.50) KDM4ETSHRNPSR1HPGDALDH1A1
SCHEMBL1498542 0.76 KDM4E (0.50) KDM4ETSHRNPSR1HPGDALDH1A1
SCHEMBL1498432 0.75 KDM4E (0.46) KDM4ETSHRIDO1NPSR1HPGD
SCHEMBL24834467 0.74 KDM4E (0.48) KDM4ETSHRIDO1NPSR1HSD17B10
SCHEMBL29827383 0.74 KDM4E (0.48) KDM4ETSHRIDO1NPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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 (1 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT KDM4E 1231/4885TSHR 1704/4885IDO1 948/4885

“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.