SCHEMBL1780579

SCHEMBL1780579

COC(=O)c1cc(Oc2ccc(OC(F)(F)C(F)F)cc2)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 2/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH3A1 P30838 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1781038 0.86 MEN1 (0.44) L3MBTL1HTTPOLBALDH1A1LMNA
SCHEMBL11308233 0.84 TDP1 (0.55) TDP1HTTPOLBALDH1A1LMNA
SCHEMBL1679937 0.81 TDP1 (0.50) TDP1HTTPOLBALDH1A1LMNA
SCHEMBL1679958 0.80 TDP1 (0.49) TDP1HTTPOLBALDH1A1MAPT
SCHEMBL1953578 0.79 POLB (0.61) L3MBTL1HTTPOLBALDH1A1LMNA
SCHEMBL31716990 0.77 POLB (0.54) L3MBTL1HTTPOLBALDH1A1LMNA
SCHEMBL13107185 0.76 LMNA (0.49) TDP1L3MBTL1HTTPOLBLMNA
SCHEMBL1679945 0.75 TDP1 (0.47) TDP1L3MBTL1HTTPOLBALDH1A1
SCHEMBL1679963 0.74 TDP1 (0.64) TDP1HTTPOLBALDH1A1LMNA
SCHEMBL19426395 0.74 POLB (0.56) L3MBTL1HTTPOLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367833-B2 Process for producing 6-aryloxyquinoline derivative and intermediate therefor NIPPON KAYAKU CO., LTD. (JP) 2013-02-05 US disclosed
US-20110118468-A1 PROCESS FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREFOR MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2011-05-19 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-20110118468-A1 PROCESS FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREFOR FAR1, CYP4F11, WEE2 TDP1 3673/4885L3MBTL1 4063/4885HTT 2717/4885

“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.