SCHEMBL220080

SCHEMBL220080

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.CC12CCC(C(S(=O)(=O)[O-])C1=O)C2(C)C.CC12CCC(C(S(=O)(=O)[O-])C1=O)C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.36
ACHE P22303 1/20 0.34
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL219862 1.00 HSD11B1 (0.36) HSD11B1ACHEKMT2ACNR2ALDH1A1
SCHEMBL384343 0.96 ALDH1A1 (0.34) HSD11B1ACHEKMT2ACNR2ALDH1A1
SCHEMBL447472 0.87 ACHE (0.35) HSD11B1ACHEKMT2ACNR2ALDH1A1
SCHEMBL384824 0.87 NR1I2 (0.34) HSD11B1ACHEKMT2AALDH1A1SMN1; SMN2
SCHEMBL217323 0.85 ALDH1A1 (0.32) HSD11B1CNR2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6339986 0.85 CNR2 (0.31) CNR2
SCHEMBL4480664 0.83 NR1I2 (0.32)
SCHEMBL384856 0.82
SCHEMBL447468 0.82 PTGS2 (0.33) CNR2
SCHEMBL4852337 0.81

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 2 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 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 HSD11B1 4015/4885ACHE 3212/4885KMT2A 1852/4885

“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.