SCHEMBL126956

SCHEMBL126956

CC(C)Oc1ccc2cc(C(=O)O)c(C(F)(F)F)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GFER P55789 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.34
DGAT1 O75907 1/20 0.34
SORT1 Q99523 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL27838153 0.85 TDP1 (0.48) ALDH1A1GFERKMT2ASORT1POLB
SCHEMBL124869 0.82 MAPT (0.40) ALDH1A1GFERDGAT1KDM4ENPSR1
SCHEMBL123340 0.82 HPD (0.39) IRAK4
SCHEMBL123888 0.81 L3MBTL1 (0.48) ALDH1A1GFERKMT2ADGAT1POLB
SCHEMBL124068 0.80 MAPT (0.39) ALDH1A1GFERKMT2AMCL1KDM4E
SCHEMBL125140 0.79 HTT (0.38) ALDH1A1GFERKMT2ASORT1POLB
SCHEMBL3430681 0.79 GFER (0.38) ALDH1A1GFERSORT1KDM4ENPSR1
SCHEMBL124741 0.79 GFER (0.38) ALDH1A1GFERSORT1KDM4ENPSR1
SCHEMBL126778 0.79 GFER (0.36) ALDH1A1GFERKMT2ASORT1KDM4E
SCHEMBL125802 0.78 GFER (0.43) ALDH1A1GFERKMT2ASORT1KDM4E

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
CN-102006777-B Herbicidal compounds SYNGENTA LTD 2015-04-01 CN disclosed
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

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 ALDH1A1 677/4885GFER 986/4885KEAP1 200/4885

“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.