SCHEMBL8945726

SCHEMBL8945726

C#CCCC#COC(=O)CC(=O)OC#CCCC#C

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4446047 0.87 CYP1A2 (0.34) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL5692648 0.84
SCHEMBL11538431 0.83 CYP1A2 (0.36) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL1482994 0.83 CYP1A2 (0.41) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL1401585 0.82 KDM4E (0.32) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL1401603 0.82 CYP1A2 (0.32) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL11537702 0.82 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL11538435 0.82 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL11538423 0.82 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL28387307 0.80 CYP1A2 (0.42) CYP1A2CYP2D6MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110066292-B Method for preparing unsaturated propyl phosphite ester and phosphate ester 江苏长园华盛新能源材料有限公司 2022-02-15 CN claimed
CN-110066292-B Method for preparing unsaturated propyl phosphite ester and phosphate ester 江苏长园华盛新能源材料有限公司 2022-02-15 CN disclosed
CN-107408734-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-08-18 CN disclosed
EP-3273520-B1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE SECONDARY CELL IN WHICH SAME IS USED MITSUBISHI CHEM CORP (JP) 2020-05-06 EP disclosed
US-10424813-B2 Non-aqueous electrolyte solution and non-aqueous electrolyte secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-09-24 US disclosed
EP-3252861-B1 NON-AQUEOUS ELECTROLYTE SOLUTION, AND NON-AQUEOUS-ELECTROLYTE SECONDARY CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-06-26 EP disclosed
US-20180034105-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2018-02-01 US disclosed
EP-3273520-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE SECONDARY CELL IN WHICH SAME IS USED Mitsubishi Chemical Corporation (JP) 2018-01-24 EP disclosed
EP-3252861-A1 NON-AQUEOUS ELECTROLYTE SOLUTION, AND NON-AQUEOUS-ELECTROLYTE SECONDARY CELL USING SAME Mitsubishi Chemical Corporation (JP) 2017-12-06 EP disclosed
US-20170324116-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SOLUTION SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-11-09 US disclosed
US-5538666-A Conducting polymeric side-chain liquid crystals and an orientation layer using the same SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1996-07-23 US 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-20170324116-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SOLUTION SECONDARY BATTERY USING THE SAME KCNN2, KCNE1, KCNN1 CYP1A2 3596/4885CYP2D6 2830/4885MAPT 3325/4885

“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.