SCHEMBL809165

SCHEMBL809165

CCCCOC(=O)C1C(C=C(C)C)C1(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
TDP1 Q9NUW8 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 5/20 0.42
ATM Q13315 2/20 0.41
HPGD P15428 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
ADRA2A P08913 1/20 0.35
CNR1 P21554 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL27601600 0.95 LMNA (0.69) LMNATDP1CYP1A2CYP2C19CYP3A4
SCHEMBL296159 0.90 LMNA (0.76) LMNATDP1CYP1A2CYP2C19CYP3A4
SCHEMBL3677170 0.87 LMNA (0.54) LMNATDP1CYP1A2CYP2C19CYP3A4
SCHEMBL3677167 0.87 LMNA (0.54) LMNATDP1CYP1A2CYP2C19CYP3A4
SCHEMBL1150261 0.84 LMNA (0.49) LMNATDP1CYP1A2CYP2C19CYP2D6
SCHEMBL357783 0.84 LMNA (0.49) LMNATDP1CYP1A2CYP2C19CYP2D6
SCHEMBL1150263 0.84 LMNA (0.49) LMNATDP1CYP1A2CYP2C19CYP2D6
Chrysanthemic Acid, Ethyl Ester SCHEMBL3676624 0.83 LMNA (1.00) LMNATDP1CYP1A2CYP2C19CYP3A4
Chrysanthemic Acid, Ethyl Ester SCHEMBL294267 0.83 LMNA (1.00) LMNATDP1CYP1A2CYP2C19CYP3A4
Chrysanthemic Acid, Ethyl Ester SCHEMBL10712272 0.83 LMNA (1.00) LMNATDP1CYP1A2CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4788323-A Method for racemization of optically active chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-29 US claimed
US-4659864-A USING ALUMINUM BORMIDE AND A HYDROPEROXIDE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1987-04-21 US claimed
CN-105685021-A Insecticide mother liquor and application thereof 中山榄菊日化实业有限公司 2016-06-22 CN disclosed
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed
US-7683215-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-23 US disclosed
US-7671213-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
EP-1463706-B1 PROCESS FOR PRODUCTION OF 3,3-DIMETHYL-2-FORMYLCYCLOPROPANECARBOXYLIC ACID DERIVATIVES SUMITOMO CHEMICAL CO (JP) 2008-02-27 EP disclosed
US-7288674-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-30 US disclosed
US-7262320-B2 Process for production of 3,3-dimethyl-2-formylcyclopropanecarboxylic acid derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-08-28 US disclosed
EP-0261824-A1 Method for racemization of optically active chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-30 EP disclosed
US-4723035-A Method for racemization of chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-02-02 US disclosed
US-4659864-A USING ALUMINUM BORMIDE AND A HYDROPEROXIDE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1987-04-21 US disclosed
US-4644080-A Method for racemization of chrysanthemic acid or its ester SUMITOMO CHEMICAL CO., LTD. (JP) 1987-02-17 US disclosed
EP-0062979-B1 A METHOD OF EPIMERIZATION OF ALKYL CHRYSANTHEMATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-08 EP disclosed
EP-0165070-A2 Method for racemization of chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-12-18 EP disclosed
EP-0155765-A1 Method for racemization of chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-25 EP disclosed
US-4473703-A TREATMENT WITH LEWIS ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-09-25 US disclosed
EP-0062979-A1 A method of epimerization of alkyl chrysanthemate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-20 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-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE LMNA 2541/4885TDP1 4483/4885CYP1A2 25/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE LMNA 2541/4885TDP1 4483/4885CYP1A2 25/4885

“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.