SCHEMBL3580690

SCHEMBL3580690

CC(C)Oc1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.47
TDP1 Q9NUW8 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 2/20 0.38
XDH P47989 1/20 0.37
ALDH1A1 P00352 1/20 0.36
EP300 Q09472 1/20 0.33
HIF1A Q16665 1/20 0.33
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 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
SCHEMBL16974722 0.87 PDK1 (0.47) PDK1TDP1NPC1RAB9AL3MBTL1
SCHEMBL16953775 0.83 MEN1 (0.34) PDK1TDP1NPC1RAB9AMEN1
SCHEMBL317481 0.81 ALDH1A1 (0.56) TDP1L3MBTL1MAPTLMNAMAPK1
SCHEMBL8926312 0.78 GAA (0.38) PDK1L3MBTL1MAPTKMT2AXDH
SCHEMBL8926315 0.78 GAA (0.38) PDK1L3MBTL1MAPTKMT2AXDH
SCHEMBL4521634 0.77 ALDH1A1 (0.50) NPC1RAB9AL3MBTL1MEN1MAPT
SCHEMBL20138635 0.75 SMN1; SMN2 (0.41) TDP1L3MBTL1MEN1MAPTKMT2A
SCHEMBL1342303 0.75 ALDH1A1 (0.63) PDK1TDP1NPC1RAB9AL3MBTL1
SCHEMBL5655063 0.75 ALDH1A1 (0.30) TDP1ALDH1A1
SCHEMBL17046393 0.74 MAPT (0.49) TDP1NPC1RAB9AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 US disclosed
CN-101006053-A Indoles useful for treating inflammation BIOLIPOX AB (SE) 2007-07-25 CN disclosed
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 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 (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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PDK1 1275/4885TDP1 1970/4885NPC1 2709/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX PDK1 888/4885TDP1 2034/4885NPC1 4415/4885

“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.