SCHEMBL106255

SCHEMBL106255

CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(-n3nc4ccc(Cl)cc4n3)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(-n3nc4ccc(Cl)cc4n3)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(-n3nc4ccc(Cl)cc4n3)c(O)c(C(C)(C)C)c2)cc(-n2nc3ccc(Cl)cc3n2)c1O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.36
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ACHE P22303 1/20 0.34
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
AGTR1 P30556 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL105113 0.95 MAOB (0.35) GAAMAOBMAOAKMT2AMEN1
SCHEMBL31147816 0.92 GAA (0.39) GAAMAOBMAOAKMT2AMEN1
SCHEMBL6107662 0.92 GAA (0.39) GAAMAOBMAOAKMT2AMEN1
SCHEMBL7525719 0.91 GAA (0.38) GAAMAOBMAOAKMT2AMEN1
SCHEMBL3288191 0.91 ALOX5 (0.36) GAAMAOBMAOAKMT2AMEN1
SCHEMBL78795 0.90 GAA (0.42) GAAMAOBMAOAKMT2AMEN1
SCHEMBL29664175 0.90 GAA (0.42) GAAMAOBMAOAKMT2AMEN1
SCHEMBL9871781 0.90 GAA (0.34) GAAMAOBMAOAKMT2AMEN1
SCHEMBL105838 0.89 GAA (0.41) GAAMAOBMAOAKMT2AMEN1
SCHEMBL9870753 0.89 CNR1 (0.40) GAAMAOBMAOAKMT2AKDM4E

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-9034955-B2 High molecular weight nonpolar benzotriazoles BASF SE (DE) 2015-05-19 US disclosed
US-9034955-B2 High molecular weight nonpolar benzotriazoles BASF SE (DE) 2015-05-19 US disclosed
US-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES BASF SE (DE) 2012-03-08 US disclosed
US-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES BASF SE (DE) 2012-03-08 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-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES SULT1A1, TPST2, SULT2A1 GAA 1298/4885MAOB 73/4885MAOA 102/4885

“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.