SCHEMBL4544760

SCHEMBL4544760

CCCC1CCC(C2CCC(Cl)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.41
CYP2C9 P11712 1/20 0.36
CYP1A2 P05177 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
PKM P14618 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
SCHEMBL5951231 1.00 TLR4 (0.41) TLR4CYP2C9CYP1A2LMNAALDH1A1
SCHEMBL2234127 0.93 CYP2C9 (0.39) TLR4CYP2C9CYP1A2LMNAALDH1A1
SCHEMBL21220106 0.90 CYP2C9 (0.38) TLR4CYP2C9CYP1A2LMNAALDH1A1
Acetic Acid SCHEMBL8734367 0.90 TLR4 (0.46) TLR4CYP2C9CYP1A2LMNAALDH1A1
SCHEMBL5836340 0.87 TLR4 (0.42) TLR4CYP2C9CYP1A2LMNAALDH1A1
SCHEMBL5836344 0.87 TLR4 (0.42) TLR4CYP2C9CYP1A2LMNAALDH1A1
SCHEMBL6697654 0.87 TLR4 (0.42) TLR4CYP2C9CYP1A2LMNAALDH1A1
SCHEMBL5951084 0.86 CYP1A2 (0.52) TLR4CYP2C9CYP1A2LMNAMAPT
SCHEMBL5951237 0.86 CYP1A2 (0.52) TLR4CYP2C9CYP1A2LMNAMAPT
SCHEMBL5951082 0.86 CYP1A2 (0.52) TLR4CYP2C9CYP1A2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349586-B Preparation method of trans-alkyl bicyclohexane liquid crystal monomer 阜阳欣奕华材料科技有限公司 2023-10-20 CN disclosed
CN-114349586-A Preparation method of trans-alkyl bicyclohexyl liquid crystal monomer 阜阳欣奕华材料科技有限公司 2022-04-15 CN disclosed
EP-3228682-A2 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC Corporation (JP) 2017-10-11 EP disclosed
WO-2017020998-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 WO disclosed
EP-2351727-B1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO LTD (JP) 2014-07-23 EP disclosed
US-8283001-B2 Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-10-09 US disclosed
US-8283001-B2 Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-10-09 US disclosed
US-8273420-B2 Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-8273420-B2 Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-20120105792-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120105792-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120050661-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-03-01 US disclosed
US-20120050661-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-03-01 US disclosed
EP-2351727-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC Seimi Chemical Co., Ltd. (JP) 2011-08-03 EP disclosed
US-7074464-B2 Perfluoropropenyl-containing compound, liquid crystal composition and liquid crystal display element CHISSO PETROCHEMICAL CORPORATION (JP) 2006-07-11 US disclosed
EP-1477546-B1 Perfluoropropenyl-containing compound, liquid crystal composition and liquid crystal display element CHISSO PETROCHEMICAL CORP (JP) 2006-05-24 EP disclosed
US-20050006624-A1 Perfluoropropenyl-containing compound, liquid crystal composition and liquid crystal display element JNC PETROCHEMICAL CORPORATION (JP) 2005-01-13 US disclosed
EP-1477546-A1 Perfluoropropenyl-containing compound, liquid crystal composition and liquid crystal display element Chisso Petrochemical Corporation (JP) 2004-11-17 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-20120050661-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT CNOT9, AUP1, SFPQ TLR4 3478/4885CYP2C9 1025/4885CYP1A2 2657/4885
US-20120105792-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT HCN2, CPNE4, HCN1 TLR4 4491/4885CYP2C9 2964/4885CYP1A2 1772/4885
US-20050006624-A1 Perfluoropropenyl-containing compound, liquid crystal composition and liquid crystal display element SCO2, FFAR2, RCC2 TLR4 4088/4885CYP2C9 1744/4885CYP1A2 605/4885

“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.