SCHEMBL105838

SCHEMBL105838

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
ACHE P22303 1/20 0.38
ALOX5 P09917 1/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
AGTR1 P30556 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL31597577 0.95 GAA (0.39) GAAKMT2AMEN1MAOBMAOA
SCHEMBL10135978 0.94 ALOX5 (0.44) GAAKMT2AMEN1MAOBMAOA
SCHEMBL6346630 0.92 GAA (0.42) GAAKMT2AMEN1MAOBMAOA
SCHEMBL31147994 0.92 GAA (0.42) GAAKMT2AMEN1MAOBMAOA
SCHEMBL104649 0.91 ALOX5 (0.42) GAAKMT2AMEN1MAOBMAOA
SCHEMBL16623979 0.91 ALOX5 (0.42) GAAKMT2AMEN1MAOBMAOA
SCHEMBL100357 0.91 ALOX5 (0.42) GAAKMT2AMEN1MAOBMAOA
SCHEMBL31349925 0.90 GAA (0.43) GAAKMT2AMEN1MAOBMAOA
SCHEMBL14788392 0.90 ALOX5 (0.41) GAAKMT2AMEN1MAOBMAOA
SCHEMBL101181 0.90 ALOX5 (0.43) GAAKMT2AMEN1MAOBMAOA

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 1298/4885KMT2A 255/4885MEN1 3738/4885

“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.