SCHEMBL217706

SCHEMBL217706

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.O=S(=O)([O-])c1cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
ACHE P22303 1/20 0.44
HSD11B1 P28845 5/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
DRD1 P21728 1/20 0.39

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
SCHEMBL8131241 0.93 ALDH1A1 (0.52) ALDH1A1ACHEHSD11B1LMNAGAA
SCHEMBL5415916 0.88 ALDH1A1 (0.41) ALDH1A1ACHEHSD11B1LMNAGAA
Sulfuric Acid SCHEMBL5068665 0.87 ALDH1A1 (0.52) ALDH1A1ACHEHSD11B1LMNAGAA
SCHEMBL452774 0.86 ALDH1A1 (0.46) ALDH1A1ACHEHSD11B1LMNAGAA
SCHEMBL51290 0.86 TSHR (0.50) ALDH1A1ACHEHSD11B1LMNAGAA
SCHEMBL5406930 0.85 HSD11B1 (0.42) ALDH1A1ACHEHSD11B1LMNAGAA
Sulfuric Acid SCHEMBL482026 0.85 ALDH1A1 (0.50) ALDH1A1ACHEHSD11B1LMNAGAA
SCHEMBL1718940 0.85 ALDH1A1 (0.50) ALDH1A1ACHEHSD11B1LMNAGAA
SCHEMBL2961938 0.85 HSD11B1 (0.46) ALDH1A1ACHEHSD11B1LMNAGAA
SCHEMBL503480 0.85 ALDH1A1 (0.44) ALDH1A1ACHEHSD11B1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088548-B2 Bottom antireflective coating compositions AZ ELECTRONIC MATERIALS USA CORP. (US) 2012-01-03 US claimed
US-20090104559-A1 Bottom Antireflective Coating Compositions MERCK PATENT GMBH (DE) 2009-04-23 US claimed
US-8088548-B2 Bottom antireflective coating compositions AZ ELECTRONIC MATERIALS USA CORP. (US) 2012-01-03 US disclosed
EP-2212273-A2 BOTTOM ANTIREFLECTIVE COATING COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2010-08-04 EP disclosed
WO-2009053832-A2 BOTTOM ANTIREFLECTIVE COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2009-04-30 WO disclosed
US-20090104559-A1 Bottom Antireflective Coating Compositions MERCK PATENT GMBH (DE) 2009-04-23 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-20090104559-A1 Bottom Antireflective Coating Compositions SDC2, S100A9, MYH9 ALDH1A1 3154/4885ACHE 3212/4885HSD11B1 4015/4885

“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.