SCHEMBL218044

SCHEMBL218044

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-])CCS(=O)(=O)[O-]

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

DRD2

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CA2 P00918 6/20 0.38
CA1 P00915 5/20 0.38
ACHE P22303 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
HSD11B1 P28845 1/20 0.38
POLB P06746 1/20 0.37
BCHE P06276 1/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37

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
SCHEMBL2436033 0.93 ALDH1A1 (0.41) ALDH1A1CA2CA1NPC1RAB9A
Eprodisate SCHEMBL218238 0.93 ALDH1A1 (0.47) ALDH1A1CA2CA1ACHENPC1
SCHEMBL7708808 0.91 ALDH1A1 (0.42) ALDH1A1CA2CA1ACHENPC1
SCHEMBL216978 0.89 ALDH1A1 (0.46) ALDH1A1CA2CA1ACHENPC1
SCHEMBL11049298 0.86 ALDH1A1 (0.50) ALDH1A1CA2CA1ACHENPC1
SCHEMBL7575479 0.86 ALDH1A1 (0.38) ALDH1A1CA2CA1NPC1RAB9A
SCHEMBL5440619 0.86 HDAC3 (0.40) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL5448821 0.86 ALDH1A1 (0.38) ALDH1A1CA2CA1ACHENPC1
SCHEMBL7578150 0.84 ALDH1A1 (0.42) ALDH1A1CA2CA1NPC1RAB9A
SCHEMBL5441724 0.83 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AHSD11B1POLB

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-2078028-B1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA (US) 2011-09-07 EP claimed
US-20090104559-A1 Bottom Antireflective Coating Compositions MERCK PATENT GMBH (DE) 2009-04-23 US claimed
EP-2384457-B1 COATING COMPOSITIONS MERCK PATENT GMBH (DE) 2022-07-06 EP disclosed
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 3154/4885CA2 846/4885CA1 311/4885

“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.