SCHEMBL2270741

SCHEMBL2270741

C=C[C@H]1CC[C@H]([C@H]2CC[C@H](CCC)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL2270744 1.00 TLR4 (0.35) TLR4CYP1A2CYP2C9
SCHEMBL2270739 1.00 TLR4 (0.35) TLR4CYP1A2CYP2C9
SCHEMBL28361607 1.00 TLR4 (0.35) TLR4CYP1A2CYP2C9
SCHEMBL7774457 1.00 TLR4 (0.35) TLR4CYP1A2CYP2C9
SCHEMBL7774459 1.00 TLR4 (0.35) TLR4CYP1A2CYP2C9
SCHEMBL7774454 1.00 TLR4 (0.35) TLR4CYP1A2CYP2C9
SCHEMBL7909879 0.94 CYP1A2 (0.36) TLR4CYP1A2
SCHEMBL7909890 0.94 CYP1A2 (0.36) TLR4CYP1A2
SCHEMBL7909881 0.94 CYP1A2 (0.36) TLR4CYP1A2
SCHEMBL8725666 0.94 CYP1A2 (0.34) CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283460-A Synthesis method of trans-4- (trans-4' -alkyl cyclohexyl) cyclohexyl ethylene liquid crystal monomer 山东盛华新材料科技股份有限公司 2023-06-23 CN disclosed
CN-107963958-B Synthesis method of trans-4- (trans-4' -alkylcyclohexyl) cyclohexyl ethylene liquid crystal monomer 西安瑞联新材料股份有限公司 2020-12-08 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
US-5348677-A Electro-optical liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-20 US disclosed
US-5318721-A Nematic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-07 US disclosed
US-5196140-A ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-23 US disclosed
EP-0313604-B1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1992-03-25 EP disclosed
EP-0264435-B1 SMECTIC LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1992-03-04 EP disclosed
US-4871469-A TRIFLUOROTOLUENE DERIVATIVES BESCRANKTER HAFTUNG (DE) 1989-10-03 US disclosed
EP-0313604-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1989-05-03 EP disclosed
WO-1988008441-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-11-03 WO disclosed
EP-0264435-A1 SMECTIC LIQUID CRYSTAL PHASES. MERCK PATENT GMBH (DE) 1988-04-27 EP disclosed
WO-1987006602-A1 SMECTIC LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-11-05 WO 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-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF OGDH, OXGR1, OXER1 TLR4 2044/4885CYP1A2 40/4885CYP2C9 88/4885

“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.