SCHEMBL6659962

SCHEMBL6659962

CCC1CCC(C2CCC(=O)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.36
HTT P42858 1/20 0.34

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
SCHEMBL8448821 1.00 TLR4 (0.36) TLR4HTT
SCHEMBL28323969 0.90 TLR4 (0.40) TLR4
SCHEMBL87369 0.85
SCHEMBL6453332 0.85 TLR4 (0.38) TLR4
SCHEMBL6453335 0.85 TLR4 (0.38) TLR4
SCHEMBL6453339 0.85 TLR4 (0.38) TLR4
SCHEMBL8215701 0.83 TLR4 (0.51) TLR4
SCHEMBL1666553 0.83 TLR4 (0.51) TLR4
SCHEMBL1666552 0.83 TLR4 (0.51) TLR4
SCHEMBL22443230 0.82 TLR4 (0.35) TLR4

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 EP disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 US disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 US disclosed
CN-103725292-B Negative dielectric anisotropy liquid crystal compound and liquid crystal composition comprising same DAXIN MATERIALS CORP. (CN) 2016-01-20 CN disclosed
US-9133396-B2 Liquid crystal compound having negative dielectric anisotropy, and liquid crystal composition DAXIN MATERIALS CORP. (TW) 2015-09-15 US disclosed
US-9133396-B2 Liquid crystal compound having negative dielectric anisotropy, and liquid crystal composition DAXIN MATERIALS CORP. (TW) 2015-09-15 US disclosed
US-9133396-B2 Liquid crystal compound having negative dielectric anisotropy, and liquid crystal composition DAXIN MATERIALS CORP. (TW) 2015-09-15 US disclosed
CN-103725292-A Negative dielectric anisotropy liquid crystal compound and liquid crystal composition comprising same DAXIN MATERIALS CORP 2014-04-16 CN disclosed
EP-1010702-A2 Process for preparing ortho-substituted aryl metal compounds and their conversion with electrophiles MERCK PATENT GmbH (DE) 2000-06-21 EP disclosed
US-5976408-A Acrylonitrile derivative, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 1999-11-02 US disclosed
EP-0820983-A1 ACRYLONITRILE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-01-28 EP disclosed
US-4617141-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1986-10-14 US disclosed
EP-0084974-B1 CARBOCYCLIC COMPOUNDS WITH LIQUID-CRYSTAL PROPERTIES Chisso Corporation (JP) 1986-04-02 EP disclosed
EP-0096850-B1 TRANS-4-ALKYLOXYMETHYL-1-(4'-SUBSTITUTED BIPHENYLYL-4)CYCLOHEXANES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME Chisso Corporation (JP) 1985-09-25 EP disclosed
US-4522741-A Trans-4-alkyloxymethyl-1-(4'-substituted biphenylyl-4)cyclohexanes CHISSO CORPORATION (JP) 1985-06-11 US disclosed
US-4477369-A New high temperature liquid-crystalline substances consisting of 4 or 5 six-member-rings and liquid-crystalline compositions containing same CHISSO CORPORATION (JP) 1984-10-16 US disclosed
EP-0096850-A1 Trans-4-alkyloxymethyl-1-(4'-substituted biphenylyl-4)cyclohexanes and liquid crystal compositions containing the same Chisso Corporation (JP) 1983-12-28 EP disclosed
EP-0084974-A1 Carbocyclic compounds with liquid-crystal properties Chisso Corporation (JP) 1983-08-03 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 (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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R TLR4 1273/4885HTT 1006/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R TLR4 1273/4885HTT 1006/4885

“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.