SCHEMBL2270772

SCHEMBL2270772

CCC[C@H]1CC[C@H](C2CCC(C=O)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.38
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL2270780 1.00 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7746227 1.00 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7746236 1.00 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2270775 1.00 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2885681 1.00 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7746238 1.00 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8488915 0.94 CYP2C9 (0.36) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1300087 0.94 CYP2C9 (0.36) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10832530 0.91 CYP2C9 (0.35) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10832533 0.91 CYP2C9 (0.35) TLR4CYP2C9ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372208-A Preparation method of trans-4- (trans-4-alkylcyclohexyl) cyclohexanecarboxaldehyde 山东盛华电子新材料有限公司 2021-09-10 CN disclosed
EP-2020407-B1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF JNC CORP (JP) 2013-07-03 EP disclosed
US-7999123-B2 2-oxetanone derivative and process for production thereof JNC CORPORATION (JP) 2011-08-16 US disclosed
US-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2009-11-05 US disclosed
EP-2020407-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF Chisso Corporation (JP) 2009-02-04 EP disclosed
EP-1179522-B1 Liquid crystalline compound having a difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2005-12-07 EP disclosed
US-6544604-B2 Large dielectric anisotropy and low refractive anisotropy; for driving elements at low voltage CHISSO CORPORATION (JP) 2003-04-08 US disclosed
US-20020119260-A1 Liquid crystalline compound having difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element JNC PETROCHEMICAL CORPORATION (JP) 2002-08-29 US disclosed
EP-1179522-A1 Liquid crystalline compound having a difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 2002-02-13 EP disclosed
EP-0393501-B1 LIQUID CRYSTAL COMPONENTS WITH A TRANS-3-CYCLOHEXYLALLYLOXY GROUP F. HOFFMANN-LA ROCHE AG (CH) 1993-06-23 EP disclosed
EP-0325796-B1 A LIQUID CRYSTAL COMPOUND AND A MIXTURE CONTAINING THE SAME Chisso Corporation (JP) 1992-03-11 EP disclosed
US-5032312-A Liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-07-16 US disclosed
EP-0393501-A1 Liquid crystal components with a trans-3-cyclohexylallyloxy group F. HOFFMANN-LA ROCHE AG (CH) 1990-10-24 EP disclosed
US-4877548-A STABLE TO HEAT, LIGHT, ELECTRICITY AND MOISTURE CHISSO CORPORATION (JP) 1989-10-31 US disclosed
EP-0325796-A1 A liquid crystal compound and a mixture containing the same Chisso Corporation (JP) 1989-08-02 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-20020119260-A1 Liquid crystalline compound having difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element OCIAD2, HCN2, OCIAD1 TLR4 3890/4885CYP2C9 3802/4885ALDH1A1 2682/4885
US-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF OGDH, OXGR1, OXER1 TLR4 2044/4885CYP2C9 88/4885ALDH1A1 28/4885

“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.