SCHEMBL5017349

SCHEMBL5017349

COC1(C)O[C@@H]2[C@@H](OCc3ccccc3)[C@@H]3OC(C)(OC)C(C)(OC)O[C@H]3[C@@H](OCc3ccccc3)[C@H]2OC1(C)OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 6/20 0.51
GSTA2 P09210 3/20 0.45
GSTM1 P09488 3/20 0.45
PDPK1 O15530 1/20 0.41
MTOR P42345 1/20 0.41
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
IDO1 P14902 1/20 0.36
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL14094693 1.00 GSTP1 (0.51) GSTP1GSTA2GSTM1PDPK1MTOR
SCHEMBL15132617 0.95 GSTP1 (0.48) GSTP1GSTA2GSTM1PDPK1MTOR
SCHEMBL4274371 0.80 GSTP1 (0.40) GSTP1GSTA2GSTM1PDPK1MTOR
SCHEMBL13657214 0.80 GSTP1 (0.40) GSTP1GSTA2GSTM1PDPK1MTOR
SCHEMBL13996381 0.80 PDPK1 (0.46) GSTP1PDPK1MTORMAPTCYP2C19
SCHEMBL3856170 0.80 PDPK1 (0.46) GSTP1PDPK1MTORMAPTCYP2C19
SCHEMBL3857852 0.79 LTA4H (0.47) IDO1BCHE
SCHEMBL17827490 0.78 PDPK1 (0.42) GSTP1PDPK1MTORMAPTCYP2C19
SCHEMBL14180109 0.78 PDPK1 (0.42) GSTP1PDPK1MTORMAPTCYP2C19
SCHEMBL3856126 0.78 PDPK1 (0.42) GSTP1PDPK1MTORMAPTCYP2C19

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-20210361680-A1 INOSITOL-BASED IMMUNOTHERAPIES NORMOXYS INC (US) 2021-11-25 US disclosed
US-20160067267-A1 MYO-INOSITOL TRISPYROPHOSPHATE AS AN ANTI-OBESITY AGENT NORMOXYS, INC. (US) 2016-03-10 US disclosed
US-20140171394-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS UNIVERSITE DE STRASBOURG (FR) 2014-06-19 US disclosed
US-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases UNIVERSITE DE STRASBOURG (FR) 2008-08-21 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 (2 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-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases PPIP5K2, IP6K1, IP6K3 GSTP1 4462/4885GSTA2 4618/4885GSTM1 4836/4885
US-20140171394-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS PPIP5K2, ITPA, IPMK GSTP1 4327/4885GSTA2 4671/4885GSTM1 4858/4885

“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.