SCHEMBL98047

SCHEMBL98047

CC(C)(C)[Si](C)(C)OCCc1ccc(OCCOc2ccc(-c3ccccc3)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.43
PPARG P37231 4/20 0.42
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
XBP1 P17861 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
CYP19A1 P11511 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARD Q03181 2/20 0.37
PPARA Q07869 1/20 0.37
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
SCHEMBL99653 0.88 ALDH1A1 (0.39) PTGESPPARGMAPTKMT2ASMN1; SMN2
SCHEMBL15823738 0.88 ALDH1A1 (0.39) PTGESPPARGMAPTKMT2ASMN1; SMN2
SCHEMBL97996 0.82 PTGES (0.47) PTGESPPARGMAPTKMT2ASMN1; SMN2
SCHEMBL5469275 0.75 MAPT (0.43) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL22382337 0.74 KMT2A (0.43) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL31208311 0.74 KMT2A (0.43) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL5467390 0.74 MAPT (0.44) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL5455878 0.72 MAPT (0.55) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL5455966 0.72 AR (0.44) MAPT
SCHEMBL17299381 0.72 LTA4H (0.50) KMT2AMEN1LMNA

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-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 PTGES 4412/4885PPARG 1306/4885MAPT 2879/4885

“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.