SCHEMBL2270780

SCHEMBL2270780

CCCC1CCC(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
SCHEMBL7746227 1.00 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2270772 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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
EP-4204515-A1 AROMATIC ISOTHIOCYANATES Merck Patent GmbH (DE) 2023-07-05 EP disclosed
CN-116018389-A Aromatic isothiocyanates 默克专利股份有限公司 2023-04-25 CN disclosed
WO-2022043376-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-03-03 WO disclosed
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
CN-108047015-A The preparation method of trans -4- substituted cyclohexyls formaldehyde 烟台德润液晶材料有限公司 2018-05-18 CN disclosed
EP-2735600-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DAINIPPON INK & CHEMICALS (JP) 2018-01-17 EP disclosed
CN-107429059-A ENERGY-SENSITIVE RESIN COMPOSITION 东京应化工业株式会社 2017-12-01 CN disclosed
EP-1801186-A1 Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2007-06-27 EP disclosed
US-20060198968-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2006-09-07 US 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-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
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 (3 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 TLR4 680/4885CYP2C9 2000/4885ALDH1A1 1864/4885
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-20060198968-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CCND3, CCND1, TCF12 TLR4 4241/4885CYP2C9 2535/4885ALDH1A1 2356/4885

“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.