SCHEMBL5357262

SCHEMBL5357262

C=C(C)C(=O)OCC(O)COC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
KMT2A Q03164 4/20 0.34
MAOB P27338 3/20 0.34
MAOA P21397 2/20 0.34
MEN1 O00255 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
ACHE P22303 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL14577828 0.92 NPC1 (0.31) GAANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13228157 0.90 GAA (0.39) GAAKMT2AMAOBMAOAMEN1
SCHEMBL8040272 0.90 MAOB (0.32) GAAMAOBMAOAADRB2ADRB1
SCHEMBL8039851 0.90 MAOB (0.32) GAAMAOBMAOAADRB2ADRB1
SCHEMBL7532425 0.90
SCHEMBL9615373 0.88 CNR2 (0.38) GAAKMT2AMAOBMAOAMEN1
SCHEMBL10472259 0.88 GAA (0.37) GAAKMT2AMAOBMAOAMEN1
SCHEMBL8039856 0.88 MAOA (0.30) MAOBMAOAADRB2ADRB1ADRB3
SCHEMBL9230983 0.88 GAA (0.35) GAAKMT2AMAOBMAOAMEN1
SCHEMBL12670429 0.88 MAOB (0.38) GAAKMT2AMAOBMAOAMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017527-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS BASF SE (DE) 2022-01-20 US disclosed
WO-2020114936-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS BASF SE (DE) 2020-06-11 WO disclosed
EP-1620500-B1 PHOTO-CURED AND STABILIZED COATINGS BASF SE (DE) 2012-07-11 EP disclosed
US-7173071-B2 Photo-cured and stabilized coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-02-06 US disclosed
EP-1620500-A1 PHOTO-CURED AND STABILIZED COATINGS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
US-6833393-B2 Fluorocopolymer ASAHI GLASS COMPANY, LIMITED (JP) 2004-12-21 US disclosed
US-20040235975-A1 Photo-cured and stabilized coatings CIBA SPECIALTY CHEMICALS CORP. 2004-11-25 US disclosed
WO-2004099302-A1 PHOTO-CURED AND STABILIZED COATINGS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed
US-20020111391-A1 Curable composition, cured coating film and coated substrate ASAHI GLASS COMPANY, LIMITED (JP) 2002-08-15 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-20220017527-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS GABBR1, GABBR2, SULT2A1 GAA 1558/4885KMT2A 295/4885MAOB 57/4885

“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.