SCHEMBL1069460

SCHEMBL1069460

CCCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1C(C)C.O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
GPR35 Q9HC97 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
SLC18A3 Q16572 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TTR P02766 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL4334775 0.88 GPR35 (0.44) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL29389790 0.77 GPR35 (0.51) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL118439 0.77 GPR35 (0.51) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL29600832 0.75 HSP90AA1 (0.61) HSP90AA1GPR35ALDH1A1TDP1MEN1
SCHEMBL117983 0.75 HSP90AA1 (0.61) HSP90AA1GPR35ALDH1A1TDP1MEN1
SCHEMBL16445732 0.71 TDP1 (0.73) HSP90AA1GPR35ALDH1A1TDP1MEN1
SCHEMBL118278 0.70 GPR35 (0.53) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL4895836 0.70 GPR35 (0.53) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL1506606 0.70 GPR35 (0.48) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL1854850 0.69 GPR35 (0.47) GPR35ALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285741-A2 SILICA DISPERSION Evonik Degussa GmbH (DE) 2011-02-23 EP disclosed
EP-2268138-A2 SILICON DIOXIDE DISPERSION Evonik Degussa GmbH (DE) 2011-01-05 EP disclosed
WO-2009095141-A2 SILICON DIOXIDE DISPERSION EVONIK DEGUSSA GMBH (DE) 2009-08-06 WO disclosed
WO-2009095139-A2 SILICA DISPERSION EVONIK DEGUSSA GMBH (DE) 2009-08-06 WO disclosed
WO-2009085211-A2 WOOD PRESERVATIVE COMPOSITIONS OSMOSE, INC. (US) 2009-07-09 WO disclosed
US-20090158961-A1 Wood preservative compositions OSMOSE, INC. 2009-06-25 US disclosed
US-20090162410-A1 Process for preparing fine particle dispersion for wood preservation KOPPERS PERFORMANCE CHEMICALS INC. (F/K/A OSMOSE, INC.) 2009-06-25 US disclosed
EP-1893348-A2 IMPROVED MICRONIZED WOOD PRESERVATIVE COMPOSITIONS Osmose, Inc. (US) 2008-03-05 EP disclosed
US-20070131136-A1 Composition And Process For Coloring Wood OSMOSE, INC. (US) 2007-06-14 US disclosed
EP-1765072-A1 USE OF PHOSPHATED ALCANOLS AS DISPERSANTS, EMULSIFIERS, HYDROTROPES, WETTING AGENTS AND COMPATABILITY AGENTS IN AGRICULTURAL COMPOSITIONS Akzo Nobel N.V. (NL) 2007-03-28 EP disclosed
WO-2007002156-A2 IMPROVED MICRONIZED WOOD PRESERVATIVE COMPOSITIONS OSMOSE, INC. (US) 2007-01-04 WO disclosed
US-20060288904-A1 Micronized wood preservative compositions OSMOSE, INC. 2006-12-28 US disclosed
US-20060147632-A1 Composition and process for coloring and preserving wood OSMOSE, INC. 2006-07-06 US disclosed
WO-2006019772-A1 USE OF PHOSPHATED ALCANOLS AS DISPERSANTS, EMULSIFIERS, HYDROTROPES, WETTING AGENTS AND COMPATABILITY AGENTS IN AGRICULTURAL COMPOSITIONS AKZO NOBEL N.V. (NL) 2006-02-23 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 (3 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-20060288904-A1 Micronized wood preservative compositions MMP1, CD68, MDN1 HSP90AA1 2441/4885GPR35 4210/4885ALDH1A1 1371/4885
US-20090162410-A1 Process for preparing fine particle dispersion for wood preservation C9, C1S, C1R HSP90AA1 3675/4885GPR35 4760/4885ALDH1A1 2662/4885
US-20070131136-A1 Composition And Process For Coloring Wood BTD, MGAM, CYB5R3 HSP90AA1 4133/4885GPR35 4651/4885ALDH1A1 608/4885

“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.