SCHEMBL6462737

SCHEMBL6462737

CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)c1c(F)c(F)c(F)c(F)c1F.Oc1ccccc1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL5655310 0.90 MGLL (0.30)
SCHEMBL5655348 0.89 BID (0.31) NAAAMEN1ALDH1A1MAPTHTT
SCHEMBL30240774 0.89 BID (0.31) NAAAMEN1ALDH1A1MAPTHTT
SCHEMBL5656636 0.89 PTGS1 (0.30)
SCHEMBL1276666 0.87 MEN1 (0.35) NAAAMEN1ALDH1A1MAPTHTT
Dymanthine SCHEMBL1276492 0.87 DNM1 (0.40) NAAAMEN1ALDH1A1MAPTHTT
SCHEMBL5656345 0.87 MEN1 (0.33) NAAAMEN1ALDH1A1MAPTHTT
SCHEMBL5653811 0.87 MEN1 (0.33) NAAAMEN1ALDH1A1MAPTHTT
SCHEMBL5872296 0.87 MEN1 (0.33) NAAAMEN1ALDH1A1MAPTHTT
SCHEMBL29661112 0.83 MEN1 (0.33) NAAAMEN1ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872844-B2 Metal complexes containing acetylenic ligands, polymerization catalysts and addition polymerization process THE DOW CHEMICAL COMPANY (US) 2005-03-29 US disclosed
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-6825147-B2 (3,4-DIPHENYLCYCLOPENTADIEN-1-YL)DIMETHYL(T-BUTYLAMIDO) -SILANETITANIUM DICHLORIDE, FOR EXAMPLE; FOR COPOLYMERIZATION OF ETHYLENE AND STYRENE DOW GLOBAL TECHNOLOGIES INC. 2004-11-30 US disclosed
US-20020183464-A1 3-aryl-substituted cyclopentadienyl metal complexes and polymerization process DOW GLOBAL TECHNOLOGIES LLC 2002-12-05 US 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-20020183464-A1 3-aryl-substituted cyclopentadienyl metal complexes and polymerization process SOD1, AOC3, PPOX NAAA 4415/4885MEN1 4838/4885ALDH1A1 2180/4885

“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.