SCHEMBL105113

SCHEMBL105113

CCC(COC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
GAA P10253 5/20 0.35
KMT2A Q03164 3/20 0.35
ACHE P22303 1/20 0.34
MEN1 O00255 2/20 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 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
AGTR1 P30556 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL106255 0.95 GAA (0.36) MAOBMAOAGAAKMT2AACHE
SCHEMBL6107662 0.92 GAA (0.39) MAOBMAOAGAAKMT2AMEN1
SCHEMBL31147816 0.92 GAA (0.39) MAOBMAOAGAAKMT2AMEN1
SCHEMBL7525719 0.90 GAA (0.38) MAOBMAOAGAAKMT2AACHE
SCHEMBL9870753 0.88 CNR1 (0.40) MAOBMAOAGAAKMT2AKDM4E
SCHEMBL3288191 0.88 ALOX5 (0.36) MAOBMAOAGAAKMT2AACHE
SCHEMBL78795 0.88 GAA (0.42) MAOBMAOAGAAKMT2AACHE
SCHEMBL29664175 0.88 GAA (0.42) MAOBMAOAGAAKMT2AACHE
SCHEMBL13072144 0.87 MAOB (0.33) MAOBMAOAGAAACHEHTT
SCHEMBL9871781 0.87 GAA (0.34) MAOBMAOAGAAKMT2AACHE

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 MAOB 73/4885MAOA 102/4885GAA 1298/4885

“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.