SCHEMBL4870229

SCHEMBL4870229

O[C@@H]1[C@@H](OCc2ccccc2)[C@H](O)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A2 P23975 1/20 0.38
BCHE P06276 2/20 0.37
PDPK1 O15530 1/20 0.37
MTOR P42345 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
HTR1A P08908 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
DPP4 P27487 1/20 0.33
GJB2 P29033 1/20 0.33

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
SCHEMBL3331155 0.96 POLB (0.41) POLBGAAMAPK1NPSR1SLC6A2
SCHEMBL8457514 0.96 POLB (0.41) POLBGAAMAPK1NPSR1SLC6A2
SCHEMBL2744122 0.96 POLB (0.41) POLBGAAMAPK1NPSR1SLC6A2
SCHEMBL7751731 0.96 POLB (0.41) POLBGAAMAPK1NPSR1SLC6A2
SCHEMBL4873069 0.94 POLB (0.39) POLBGAAMAPK1NPSR1SLC6A2
SCHEMBL4870268 0.94 POLB (0.39) POLBGAAMAPK1NPSR1SLC6A2
SCHEMBL9456053 0.94 POLB (0.39) POLBGAAMAPK1NPSR1SLC6A2
SCHEMBL10670602 0.94 POLB (0.39) POLBGAAMAPK1NPSR1SLC6A2
SCHEMBL9767683 0.93 POLB (0.40) POLBGAAMAPK1NPSR1SLC6A2
SCHEMBL7922102 0.93 POLB (0.40) POLBGAAMAPK1NPSR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7453006-B2 Inositol derivatives for increasing chloride secretion and inhibiting inflammation INOLOGIC, INC. (US) 2008-11-18 US disclosed
EP-1345950-A4 INOSITOL DERIVATIVES FOR INCREASING CHLORIDE SECRETION AND INHIBITING INFLAMMATION INOLOGIC INC (US) 2005-04-27 EP disclosed
US-20040147487-A1 Inositol derivatives for increasing chloride secretion and inhibiting inflammation INOLOGIC, INC. 2004-07-29 US disclosed
EP-1345950-A2 INOSITOL DERIVATIVES FOR INCREASING CHLORIDE SECRETION AND INHIBITING INFLAMMATION Inologic, Inc. (US) 2003-09-24 EP disclosed
WO-2002041831-A2 INOSITOL DERIVATIVES FOR INCREASING CHLORIDE SECRETION AND INHIBITING INFLAMMATION INOLOGIC, INC. (US) 2002-05-30 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 (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-20040147487-A1 Inositol derivatives for increasing chloride secretion and inhibiting inflammation PPIP5K2, ITPR2, ITPR3 POLB 4554/4885GAA 4181/4885MAPK1 1091/4885

“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.