SCHEMBL1636727

SCHEMBL1636727

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SERPINE1 P05121 1/20 0.32
HTT P42858 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
PRKCA P17252 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
SCHEMBL7934757 0.88 ALDH1A1 (0.40) ALDH1A1POLBMAPTSERPINE1HTT
SCHEMBL10632584 0.84 HTT (0.35) ALDH1A1SERPINE1HTTGRIN2DGRIN3B
SCHEMBL13917721 0.83 SERPINE1 (0.31) SERPINE1HTTGRIN2DGRIN3BGRIN1
SCHEMBL15933348 0.82 ALDH1A1 (0.37) ALDH1A1POLBMAPTSERPINE1HTT
SCHEMBL27373566 0.82 PRKCA (0.34) ALDH1A1POLBMAPTPRKCA
SCHEMBL6881130 0.82
SCHEMBL9489545 0.81 HTT (0.33) SERPINE1HTT
SCHEMBL954672 0.80 MMP8 (0.38) ALDH1A1POLBMAPTSERPINE1HTT
SCHEMBL11758824 0.80 ALDH1A1 (0.37) ALDH1A1POLBMAPTSERPINE1HTT
SCHEMBL15894726 0.80 KDM4E (0.40) ALDH1A1POLBMAPTSERPINE1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142565-B Neopentyl glycol refining and ester removing method and device system with low energy consumption 万华化学集团股份有限公司 2022-08-05 CN claimed
CN-112142565-A Neopentyl glycol refining and ester removing method and device system with low energy consumption 万华化学集团股份有限公司 2020-12-29 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
WO-2025228965-A1 SINTERING AID ILIKA TECHNOLOGIES LTD (GB) 2025-11-06 WO disclosed
US-12122737-B2 Method for continuously producing diols from aldehydes by means of Raney cobalt catalysis OQ CHEMICALS GMBH (DE) 2024-10-22 US disclosed
US-20240347687-A1 COMPONENT FOR USE IN AN ENERGY STORAGE DEVICE OR AN ENERGY CONVERSION DEVICE AND METHOD FOR THE MANUFACTURE THEREOF ILIKA TECHNOLOGIES LTD (GB) 2024-10-17 US disclosed
EP-4331022-A1 COMPONENT FOR USE IN AN ENERGY STORAGE DEVICE OR AN ENERGY CONVERSION DEVICE AND METHOD FOR THE MANUFACTURE THEREOF Ilika Technologies Limited (GB) 2024-03-06 EP disclosed
CN-117486703-A Preparation method of 2, 4-tetramethyl-1, 3-cyclobutanedione 万华化学集团股份有限公司 2024-02-02 CN disclosed
EP-3747855-B1 METHOD FOR THE CONTINUOUS PREPARATION OF DIOLS FROM ALDEHYDES USING RANEY-COBALT CATALYSIS OQ CHEMICALS GMBH (DE) 2024-01-10 EP disclosed
US-5041621-A Process for the preparation of dihydroxy esters EASTMAN KODAK COMPANY (US) 1991-08-20 US disclosed
WO-1991004960-A1 PROCESS FOR THE PREPARATION OF DIHIDROXY ESTERS EASTMAN KODAK COMPANY (US) 1991-04-18 WO disclosed
EP-0420770-A1 Process for the preparation of dihydroxy esters EASTMAN CHEMICAL COMPANY (US) 1991-04-03 EP disclosed
EP-0284912-A2 Elastomers containing polyamide and polyurea groups and procedure for the preparation of elastic, compact or cellular mouldings thereof BASF Aktiengesellschaft (DE) 1988-10-05 EP disclosed
US-4225726-A Catalytic condensation of aldehydes to 1,3-glycol monoesters EASTMAN KODAK COMPANY (US) 1980-09-30 US disclosed
US-4021496-A Process for the purification of neopentyl glycol EASTMAN KODAK COMPANY (US) 1977-05-03 US disclosed
US-3939216-A CONTINUOUS, MULTISTAGE, FROM ISOBUTYRALDEHYDE AND FORMALDEHYDE EASTMAN KODAK COMPANY (US) 1976-02-17 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-12122737-B2 Method for continuously producing diols from aldehydes by means of Raney cobalt catalysis C9, ADH1C, HAO2 ALDH1A1 120/4885POLB 303/4885MAPT 2962/4885

“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.