SCHEMBL104649

SCHEMBL104649

CC(C)(C)c1cc(CCC(=O)OCCCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
GAA P10253 4/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 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
SCHEMBL31361790 0.99 ALOX5 (0.41) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL672759 0.99 ALOX5 (0.41) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL10135978 0.97 ALOX5 (0.44) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL906105 0.96 ALDH1A1 (0.41) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL29768836 0.96 ALDH1A1 (0.41) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL23533531 0.95 CNR2 (0.41) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL2491248 0.95 CNR2 (0.41) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL9871733 0.95 CNR2 (0.41) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL5630244 0.95 CNR2 (0.41) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL30996211 0.95 ALDH1A1 (0.40) ALOX5GAAKMT2AMEN1TDP1

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 ALOX5 1039/4885GAA 1298/4885KMT2A 255/4885

“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.