SCHEMBL5065200

SCHEMBL5065200

NC1(CCP(=O)(O)O)CCc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM2 Q14416 1/20 0.34
S1PR1 P21453 5/20 0.33
PARP1 P09874 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ACP3 P15309 1/20 0.33
KCNH2 Q12809 1/20 0.32
ADRA2A P08913 1/20 0.32
ATM Q13315 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 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
SCHEMBL13997123 0.81 FDPS (0.33) KDM4ECYP1A2ALOX15CYP2C19GRM2
SCHEMBL8558010 0.75 S1PR1 (0.41) S1PR1SIGMAR1KCNH2ADRA2A
SCHEMBL8556517 0.73 SIGMAR1 (0.39) PARP1SIGMAR1ADRA2AHTR1AHTR1B
SCHEMBL8554610 0.73 SIGMAR1 (0.39) PARP1SIGMAR1ADRA2AHTR1AHTR1B
SCHEMBL5326427 0.73 MME (0.38) ALDH1A1PARP1SIGMAR1ATM
SCHEMBL1614252 0.73 TSHR (0.41) MEN1ALDH1A1KMT2ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL19100214 0.71 TSHR (0.40) MEN1ALDH1A1KMT2ACYP2C19PARP1
SCHEMBL9583897 0.68 SIGMAR1 (0.39) PARP1SIGMAR1ADRA2AHTR1AHTR1B
SCHEMBL3644143 0.66 SIGMAR1 (0.43) ALDH1A1CYP1A2CYP2C19SIGMAR1KCNH2
SCHEMBL5059577 0.65 TSHR (0.52) ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-12-25 US disclosed
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-12-25 US disclosed
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US disclosed
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US disclosed
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions KIACTA SARL (CH) 2006-06-01 US disclosed
US-6670399-B2 Contacting a blood vessel wall cell with an A beta 40 inhibitor, such that cerebral amyloid angiopathy is inhibited NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2003-12-30 US disclosed
EP-1100487-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS Neurochem, Inc. (CA) 2001-05-23 EP disclosed
EP-1077690-A1 USE OF AMYLOID INHIBITORS FOR MODULATING NEURONAL CELL DEATH Neurochem, Inc. (CA) 2001-02-28 EP disclosed
WO-2000006133-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS NEUROCHEM, INC. (CA) 2000-02-10 WO disclosed
WO-1999059571-A1 USE OF AMYLOID INHIBITORS FOR MODULATING NEURONAL CELL DEATH NEUROCHEM, INC. (US) 1999-11-25 WO 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 (3 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-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy APP, PYGB, MAPT MEN1 1863/4885ALDH1A1 3580/4885KMT2A 3285/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 MEN1 3689/4885ALDH1A1 1880/4885KMT2A 4378/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 MEN1 3711/4885ALDH1A1 2097/4885KMT2A 4400/4885

“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.