SCHEMBL219017

SCHEMBL219017

CC(C)(C)c1ccc(S(OS(=O)(=O)CCCS(=O)(=O)OS(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CA2 P00918 7/20 0.40
CA1 P00915 6/20 0.40
CA9 Q16790 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 3/20 0.39
HSD11B1 P28845 2/20 0.39
GAA P10253 1/20 0.39
HSD17B3 P37058 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GMNN O75496 1/20 0.38
DRD1 P21728 1/20 0.38
DRD3 P35462 1/20 0.38
CCR2 P41597 1/20 0.38

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
SCHEMBL218045 0.93 ALDH1A1 (0.50) ALDH1A1BCHEACHECA2CA1
SCHEMBL7708810 0.88 ALDH1A1 (0.47) ALDH1A1BCHEACHECA2CA1
SCHEMBL216979 0.86 ALDH1A1 (0.50) ALDH1A1BCHEACHECA2CA1
SCHEMBL450158 0.84 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AHSD11B1HSD17B3
SCHEMBL7575486 0.83 ALDH1A1 (0.43) ALDH1A1BCHEACHECA2CA1
SCHEMBL7578164 0.80 ALDH1A1 (0.47) ALDH1A1BCHEACHECA2CA1
SCHEMBL7896349 0.78 ALDH1A1 (0.53) ALDH1A1BCHEACHECA2CA1
SCHEMBL218711 0.76 HTR6 (0.41) ALDH1A1CA2CA1CA9LMNA
SCHEMBL220568 0.74 ALDH1A1 (0.48) ALDH1A1BCHEACHECA2CA1
SCHEMBL7028778 0.72 BCHE (0.53) ALDH1A1BCHEACHECA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3154/4885BCHE 1358/4885ACHE 3212/4885

“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.