SCHEMBL17189161

SCHEMBL17189161

CCCCOC1C(C)OC(OC)C(OCCCC)C1OCCCC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
GBA1 P04062 2/20 0.35
SSTR1 P30872 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR4 P31391 1/20 0.33
SSTR3 P32745 1/20 0.33
SSTR5 P35346 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
SCHEMBL15981300 1.00 TNF (0.40) TNFGBA1SSTR1SSTR2SSTR4
SCHEMBL26824612 1.00 TNF (0.40) TNFGBA1SSTR1SSTR2SSTR4
SCHEMBL12670465 1.00 TNF (0.40) TNFGBA1SSTR1SSTR2SSTR4
SCHEMBL17371173 1.00 TNF (0.40) TNFGBA1SSTR1SSTR2SSTR4
SCHEMBL15304397 1.00 TNF (0.40) TNFGBA1SSTR1SSTR2SSTR4
SCHEMBL8992782 0.93 TNF (0.46) TNFGBA1SSTR1SSTR2SSTR4
SCHEMBL8992784 0.93 TNF (0.46) TNFGBA1SSTR1SSTR2SSTR4
SCHEMBL16135483 0.85 TNF (0.33) TNF
SCHEMBL14714134 0.85 GBA1 (0.47) TNFGBA1
SCHEMBL15045698 0.85 TNF (0.43) TNFGBA1

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
EP-3246324-A2 PHENYL C-GLUCOSIDE DERIVATIVE CONTAINING DEOXYGLUCOSE STRUCTURE, PREPARATION METHOD AND USES THEREOF Tianjin Institute Of Pharmaceutical Research (CN) 2017-11-22 EP disclosed
EP-2933250-B1 PHENYL C-GLUCOSIDE DERIVATIVE CONTAINING DEOXYGLUCOSE STRUCTURE, PREPARATION METHOD AND USE THEREOF TIANJIN INST OF PHARMACEUTICAL RES (CN) 2017-08-09 EP disclosed
US-20170057989-A1 PHENYL C-GLUCOSIDE DERIVATIVE CONTAINING DEOXYGLUCOSE STRUCTURE, PREPARATION METHOD AND USE THEREOF TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2017-03-02 US disclosed
US-9505734-B2 Phenyl C-glucoside derivative containing deoxyglucose structure, preparation method and use thereof TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2016-11-29 US disclosed
EP-2933250-A1 PHENYL C-GLUCOSIDE DERIVATIVE CONTAINING DEOXYGLUCOSE STRUCTURE, PREPARATION METHOD AND USE THEREOF Tianjin Institute Of Pharmaceutical Research (CN) 2015-10-21 EP 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-20170057989-A1 PHENYL C-GLUCOSIDE DERIVATIVE CONTAINING DEOXYGLUCOSE STRUCTURE, PREPARATION METHOD AND USE THEREOF GCG, SLC5A1, DPP7 TNF 1688/4885GBA1 692/4885SSTR1 1815/4885

“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.