SCHEMBL4872771

SCHEMBL4872771

c1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@]34CCC[C@@]3(OC[C@@H]2OCc2ccccc2)O4)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.38
ACHE P22303 1/20 0.38
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
CTSF Q9UBX1 1/20 0.34
PSEN1 P49768 3/20 0.32
PSEN2 P49810 3/20 0.32
APH1B Q8WW43 3/20 0.32
NCSTN Q92542 3/20 0.32
APH1A Q96BI3 3/20 0.32
PSENEN Q9NZ42 3/20 0.32
PDPK1 O15530 1/20 0.32
MTOR P42345 1/20 0.32
SLC6A2 P23975 1/20 0.32
PDE4D Q08499 1/20 0.32
OPRM1 P35372 2/20 0.32

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
SCHEMBL7565726 0.69 BCHE (0.43) BCHEACHECTSVCTSLCTSB
SCHEMBL8067905 0.69 BCHE (0.46) BCHEACHECTSVCTSLCTSB
SCHEMBL23867782 0.68 BCHE (0.49) BCHEACHECTSVCTSLCTSB
SCHEMBL6551128 0.68 BCHE (0.47) BCHEACHECTSVCTSLCTSB
SCHEMBL6551134 0.68 BCHE (0.47) BCHEACHECTSVCTSLCTSB
SCHEMBL18906813 0.68 BCHE (0.47) BCHEACHECTSVCTSLCTSB
SCHEMBL8067902 0.68 BCHE (0.41) BCHEACHECTSVCTSLCTSB
SCHEMBL8068898 0.68 BCHE (0.39) BCHEACHECTSVCTSLCTSB
SCHEMBL8074042 0.67 BCHE (0.40) BCHEACHECTSVCTSLCTSB
SCHEMBL20960030 0.67 BCHE (0.42) BCHEACHECTSVCTSLCTSB

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 2 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
US-20040147487-A1 Inositol derivatives for increasing chloride secretion and inhibiting inflammation INOLOGIC, INC. 2004-07-29 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-20040147487-A1 Inositol derivatives for increasing chloride secretion and inhibiting inflammation PPIP5K2, ITPR2, ITPR3 BCHE 3436/4885ACHE 2182/4885CTSV 2928/4885

“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.