SCHEMBL882160

SCHEMBL882160

CC(C)C(=O)OCC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 2/20 0.36
CYP2C19 P33261 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
MMP8 P22894 1/20 0.31
ELANE P08246 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 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
Ethylene Glycol SCHEMBL5943654 0.93 ALDH1A1 (0.37) ALDH1A1POLBMAPTHTTCYP2C19
SCHEMBL7934757 0.84 ALDH1A1 (0.40) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL16732153 0.84 HTT (0.36) HTTCYP2C19GRIN2DGRIN3BGRIN1
SCHEMBL4187826 0.82 HTT (0.39) HTTCYP2C19GRIN2DGRIN3BGRIN1
SCHEMBL10280097 0.82 HTT (0.39) HTTCYP2C19GRIN2DGRIN3BGRIN1
SCHEMBL10955234 0.82 ALDH1A1 (0.42) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL13346809 0.81 ALDH1A1 (0.41) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL24502636 0.80 ALDH1A1 (0.38) ALDH1A1POLBMAPTHTTCYP2C19
SCHEMBL1787722 0.80 HTT (0.33) HTTCYP2C19GRIN2DGRIN3BGRIN1
SCHEMBL769581 0.80 GRIN2D (0.51) ALDH1A1MAPTHTTCYP2C19GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN claimed
CN-109119598-B Non-aqueous electrolyte and secondary battery 微宏动力系统(湖州)有限公司 2021-09-21 CN claimed
CN-107666011-B Non-aqueous electrolyte and non-aqueous electrolyte secondary battery 微宏动力系统(湖州)有限公司 2020-07-28 CN claimed
US-6818049-B1 HALOGEN FREE INDUSTRIAL SOLVENT FORMULATION; LOW REACTIVITY TO OZONE FORMATION EXXONMOBIL CHEMICAL PATENTS INC. 2004-11-16 US claimed
US-6506243-B1 Industrial solvents; dialkyl carbonates, alkyl acetates, dioxolanes, pivalates, isobutyrates, nitriles EXXONMOBIL CHEMICAL PATENTS INC. 2003-01-14 US claimed
WO-2002064687-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-08-22 WO claimed
EP-1090085-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXON CHEMICAL PATENTS INC. (US) 2001-04-11 EP claimed
WO-1999057217-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXON CHEMICAL PATENTS INC. (US) 1999-11-11 WO claimed
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN disclosed
US-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-11-30 US disclosed
US-20230322793-A1 10-(di(phenyl)methyl)-4-hydroxy-8,9,9A,10-tetrahydro-7H-pyrrolo[1 ',2':4,5]pyrazino[1,2-B]pyridazine-3,5-dione Derivatives and Related Compounds as Inhibitors of the Orthomyxovirus Replication for Treating Influenza NOVARTIS AG (CH) 2023-10-12 US disclosed
CN-113871683-B Method for improving high-temperature performance of non-aqueous electrolyte battery 宁波梅山保税港区锂泰企业管理合伙企业(有限合伙) 2022-06-17 CN disclosed
CN-114614018-A Lithium ion battery negative electrode material, preparation method thereof and lithium ion secondary battery 宁波梅山保税港区锂泰企业管理合伙企业(有限合伙) 2022-06-10 CN disclosed
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-02 US disclosed
US-20010041808-A1 Production of esters EXXONMOBIL CHEMICAL PATENTS INC. 2001-11-15 US disclosed
US-6280519-B1 Environmentally preferred fluids and fluid blends EXXON CHEMICAL PATENTS INC. 2001-08-28 US disclosed
WO-2001047861-A1 PRODUCTION OF ESTERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2001-07-05 WO disclosed
EP-1090085-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXON CHEMICAL PATENTS INC. (US) 2001-04-11 EP disclosed
WO-1999057217-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXON CHEMICAL PATENTS INC. (US) 1999-11-11 WO disclosed
US-4131739-A NOBLE GROUP 8 METAL ON CARBON EASTMAN KODAK COMPANY (US) 1978-12-26 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 (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-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 3135/4885POLB 61/4885MAPT 3900/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885POLB 549/4885MAPT 4273/4885
US-20230322793-A1 10-(di(phenyl)methyl)-4-hydroxy-8,9,9A,10-tetrahydro-7H-pyrrolo[1 ',2':4,5]pyrazino[1,2-B]pyridazine-3,5-dione Derivatives and Related Compounds as Inhibitors of the Orthomyxovirus Replication for Treating Influenza MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2395/4885POLB 154/4885MAPT 1780/4885

“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.