SCHEMBL6741216

SCHEMBL6741216

CCCCOc1c(OC)c(OC)cc(C)c1C(=O)c1c(C)ccc([N+](=O)[O-])c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 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
SCHEMBL6737674 0.88 MAPT (0.43) LMNAALDH1A1GAAMAPTHTT
SCHEMBL6740826 0.86 MEN1 (0.41) L3MBTL1KMT2AMEN1THRB
SCHEMBL6740740 0.83 MEN1 (0.39) LMNAALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL6737783 0.83 SMN1; SMN2 (0.40) ALDH1A1GAAL3MBTL1MAPTHTT
SCHEMBL6738705 0.81 MAPT (0.41) LMNAPOLBALDH1A1GAAL3MBTL1
SCHEMBL7522504 0.79 KCNB1 (0.42) LMNAALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6150070 0.76 L3MBTL1 (0.43) LMNAALDH1A1GAAL3MBTL1MAPT
SCHEMBL7623981 0.76 MAPT (0.38) LMNAPOLBALDH1A1L3MBTL1MAPT
SCHEMBL8373885 0.75 CNR2 (0.40) LMNAALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL7518830 0.74 L3MBTL1 (0.41) LMNAALDH1A1GAAL3MBTL1MAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689776-B2 APPLYING TO THE CROP PLANTS BEING INFESTED WITH FUNGAL DISEASE, A BIPHENOXY COMPOUND IN ASSOCIATION WITH STROBILURIN OR CYANOIMIDAZOLE, OR CARBONIC ACID AMIDE SYNGENTA CROP PROTECTION, INC. 2004-02-10 US claimed
EP-1185173-B1 FUNGICIDAL COMBINATIONS SYNGENTA PARTICIPATIONS AG (CH) 2003-05-28 EP claimed
EP-0899255-B1 Fungicidal 2,6,6'-trimethylbenzophenones BASF AG (DE) 2003-04-02 EP claimed
US-20020107246-A1 Fungicidal combinations SYNGENTA CROP PROTECTION, INC. 2002-08-08 US claimed
EP-1185173-A1 FUNGICIDAL COMBINATIONS Syngenta Participations AG (CH) 2002-03-13 EP claimed
US-6242498-B1 NONPHYTOTOXIC BASF AKTIENGESELLSCHAFT 2001-06-05 US claimed
WO-2000076317-A1 FUNGICIDAL COMBINATIONS SYNGENTA PARTICIPATIONS AG (CH) 2000-12-21 WO claimed
EP-0899255-A2 Fungicidal 2,6,6'-trimethylbenzophenones American Cyanamid Company (US) 1999-03-03 EP claimed
US-6790851-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, INC. 2004-09-14 US disclosed
US-6689776-B2 APPLYING TO THE CROP PLANTS BEING INFESTED WITH FUNGAL DISEASE, A BIPHENOXY COMPOUND IN ASSOCIATION WITH STROBILURIN OR CYANOIMIDAZOLE, OR CARBONIC ACID AMIDE SYNGENTA CROP PROTECTION, INC. 2004-02-10 US disclosed
EP-1278414-B1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2003-12-17 EP disclosed
US-20030166669-A1 Fungicidal compositions SYNGENTA CROP PROTECTION, INC. 2003-09-04 US disclosed
EP-1185173-B1 FUNGICIDAL COMBINATIONS SYNGENTA PARTICIPATIONS AG (CH) 2003-05-28 EP disclosed
EP-0899255-B1 Fungicidal 2,6,6'-trimethylbenzophenones BASF AG (DE) 2003-04-02 EP disclosed
US-20020107246-A1 Fungicidal combinations SYNGENTA CROP PROTECTION, INC. 2002-08-08 US disclosed
EP-1185173-A1 FUNGICIDAL COMBINATIONS Syngenta Participations AG (CH) 2002-03-13 EP disclosed
WO-2001080643-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2001-11-01 WO disclosed
US-6242498-B1 NONPHYTOTOXIC BASF AKTIENGESELLSCHAFT 2001-06-05 US disclosed
WO-2000076317-A1 FUNGICIDAL COMBINATIONS SYNGENTA PARTICIPATIONS AG (CH) 2000-12-21 WO disclosed
EP-0899255-A2 Fungicidal 2,6,6'-trimethylbenzophenones American Cyanamid Company (US) 1999-03-03 EP 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-20020107246-A1 Fungicidal combinations CBR1, CBR3, CYP4B1 LMNA 2160/4885POLB 2925/4885ALDH1A1 1052/4885
US-20030166669-A1 Fungicidal compositions CBR1, CBR3, CYP1B1 LMNA 3246/4885POLB 2317/4885ALDH1A1 1123/4885

“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.