SCHEMBL216452

SCHEMBL216452

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 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
UQCRB P14927 3/20 0.38
ACHE P22303 1/20 0.37
HSD17B2 P37059 5/20 0.37
HSD11B1 P28845 3/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B3 P37058 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL218154 0.92 ALDH1A1 (0.50) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL11049298 0.79 ALDH1A1 (0.50) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL5445343 0.79 TSHR (0.52) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL5445839 0.79 ALDH1A1 (0.47) ALDH1A1LMNAGAAMAPTUQCRB
SCHEMBL451538 0.78 ALDH1A1 (0.46) ALDH1A1LMNAGAAMAPTUQCRB
SCHEMBL196750 0.77 ALDH1A1 (0.61) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL25384787 0.77 ALDH1A1 (0.48) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL2284370 0.76 UQCRB (0.49) ALDH1A1LMNAMAPTUQCRBACHE
SCHEMBL5414893 0.76 HSD11B1 (0.40) ALDH1A1MAPTUQCRBHSD17B2HSD11B1
Hydrochloric Acid SCHEMBL1326865 0.75 ALDH1A1 (0.59) ALDH1A1LMNAGAAMEN1KMT2A

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 4 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
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 3154/4885LMNA 686/4885GAA 2742/4885

“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.