SCHEMBL4821700

SCHEMBL4821700

CC(C)(COCOCC(C)(C)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14733126 0.91 ALDH1A1 (0.33) ALDH1A1ACHE
SCHEMBL7926774 0.89 ALDH1A1 (0.34) ALDH1A1ACHEL3MBTL1
SCHEMBL10470214 0.81 ALDH1A1 (0.40) ALDH1A1ACHEL3MBTL1TSHR
SCHEMBL14065542 0.80 TSHR (0.49) ALDH1A1TSHRTDP1
SCHEMBL439564 0.80 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL12227544 0.76 ACHE (0.35) ALDH1A1ACHEL3MBTL1
SCHEMBL2116287 0.75 ALDH1A1 (0.39) ALDH1A1ACHEL3MBTL1TSHRTDP1
SCHEMBL2116285 0.75 ALDH1A1 (0.56) ALDH1A1ACHEL3MBTL1TSHRTDP1
SCHEMBL18209318 0.75 ALDH1A1 (0.38) ALDH1A1ACHEL3MBTL1TSHRTDP1
SCHEMBL12541443 0.74 ALDH1A1 (0.35) ALDH1A1ACHEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319130-B2 Phenolic resins ANGUS CHEMICAL COMPANY (US) 2008-01-15 US disclosed
US-7319130-B2 Phenolic resins ANGUS CHEMICAL COMPANY (US) 2008-01-15 US disclosed
US-7319130-B2 Phenolic resins ANGUS CHEMICAL COMPANY (US) 2008-01-15 US disclosed
US-7317063-B2 Phenolic resins ANGUS CHEMICAL COMPANY (US) 2008-01-08 US disclosed
US-7317063-B2 Phenolic resins ANGUS CHEMICAL COMPANY (US) 2008-01-08 US disclosed
US-7317063-B2 Phenolic resins ANGUS CHEMICAL COMPANY (US) 2008-01-08 US disclosed
US-20070055041-A1 Novel phenolic resins SWEDO RAYMOND J 2007-03-08 US disclosed
US-20070055041-A1 Novel phenolic resins SWEDO RAYMOND J 2007-03-08 US disclosed
US-20070055041-A1 Novel phenolic resins SWEDO RAYMOND J 2007-03-08 US disclosed
EP-1569975-A2 PHENOLIC RESINS ANGUS CHEMICAL COMPANY (US) 2005-09-07 EP disclosed
US-20040198926-A1 Novel phenolic resins ANGUS CHEMICAL COMPANY 2004-10-07 US disclosed
US-20040116647-A1 Novel phenolic resins ANGUS CHEMICAL COMPANY 2004-06-17 US disclosed
WO-2004050733-A2 PHENOLIC RESINS ANGUS CHEMICAL COMPANY (US) 2004-06-17 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 (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-20040198926-A1 Novel phenolic resins PNMT, NNMT, PNN ALDH1A1 665/4885ACHE 1549/4885L3MBTL1 3289/4885

“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.