SCHEMBL6738705

SCHEMBL6738705

COc1cc(C)c(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)c(OCc2ccccc2F)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
ALDH1A1 P00352 6/20 0.39
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SNCA P37840 1/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALOX12 P18054 1/20 0.37
BLM P54132 1/20 0.37
PLEC Q15149 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL6740056 0.88 MAPT (0.46) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL6742068 0.85 MAPT (0.50) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL6738712 0.85 MAPT (0.46) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL6737674 0.83 MAPT (0.43) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL7601071 0.81 CTSD (0.45) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL6741216 0.81 LMNA (0.39) MAPTPOLBMAPK1ALDH1A1GAA
SCHEMBL6691257 0.80 MAPT (0.52) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL7603075 0.79 MAPT (0.46) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL7520130 0.78 MAPT (0.51) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL7044465 0.71 PDE4A (0.47) MAPTALDH1A1GAALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1278414-A1 FUNGICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2003-01-29 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
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 MAPT 4768/4885POLB 2925/4885MAPK1 1444/4885
US-20030166669-A1 Fungicidal compositions CBR1, CBR3, CYP1B1 MAPT 4860/4885POLB 2317/4885MAPK1 3159/4885

“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.