SCHEMBL218154

SCHEMBL218154

CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)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 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
ACHE P22303 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
HSD11B1 P28845 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
GMNN O75496 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL216452 0.92 ALDH1A1 (0.43) ALDH1A1ACHELMNAGAAHSD11B1
SCHEMBL11049298 0.86 ALDH1A1 (0.50) ALDH1A1ACHELMNAGAAHSD11B1
SCHEMBL5445839 0.86 ALDH1A1 (0.47) ALDH1A1ACHELMNAGAAHSD11B1
SCHEMBL5445343 0.86 TSHR (0.52) ALDH1A1ACHELMNAGAAHSD11B1
SCHEMBL451538 0.84 ALDH1A1 (0.46) ALDH1A1ACHELMNAGAAHSD11B1
SCHEMBL5414893 0.82 HSD11B1 (0.40) ALDH1A1HSD11B1MAPTNPC1RAB9A
SCHEMBL8629251 0.82 HSD11B1 (0.49) ALDH1A1LMNAGAAHSD11B1MEN1
SCHEMBL6140382 0.82 ALDH1A1 (0.43) ALDH1A1ACHELMNAGAAHSD11B1
Trifluoromethanesulfonic Acid SCHEMBL36543 0.81 ALDH1A1 (0.46) ALDH1A1ACHELMNAGAAHSD11B1
SCHEMBL218044 0.81 ALDH1A1 (0.46) ALDH1A1ACHELMNAGAAHSD11B1

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 8 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
EP-2212273-A2 BOTTOM ANTIREFLECTIVE COATING COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2010-08-04 EP claimed
WO-2009053832-A2 BOTTOM ANTIREFLECTIVE COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2009-04-30 WO 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 3212/4885LMNA 686/4885

“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.