SCHEMBL1636728

SCHEMBL1636728

CC(C)(CO)CO.CC(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.33
GABRR1 P24046 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OR51E2 Q9H255 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
CYP1A2 P05177 1/20 0.33
SLC7A5 Q01650 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7934758 1.00 TP53 (0.38) TP53ALDH1A1GABRR1RNPEPTDP1
Acetic Acid SCHEMBL11758837 0.95 ALDH1A1 (0.36) TP53ALDH1A1GABRR1RNPEPTDP1
Butyric Acid SCHEMBL4452701 0.85 FFAR3 (0.52) ALDH1A1TDP1OR51E2CYP1A2
SCHEMBL16033727 0.84 PIK3CD (0.31) TP53ALDH1A1TDP1
Bicarbonate SCHEMBL5187608 0.82 TSHR (0.39) TP53ALDH1A1TDP1OR51E2CYP1A2
SCHEMBL28703813 0.81 ALDH1A1 (0.37) ALDH1A1RNPEPTDP1OR51E2MAPT
SCHEMBL28610519 0.80 GABRR1 (0.40) TP53ALDH1A1GABRR1RNPEPTDP1
SCHEMBL11365409 0.80 GABRR1 (0.40) TP53ALDH1A1GABRR1RNPEPTDP1
SCHEMBL11363406 0.80 GABRR1 (0.40) TP53ALDH1A1GABRR1RNPEPTDP1
Acetic Acid SCHEMBL28895099 0.79 FFAR3 (0.47) ALDH1A1TDP1KDM4E

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 101 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
EP-3431479-B1 METHOD FOR PRODUCING DIOL HAVING CYCLIC ACETAL SKELETON MITSUBISHI GAS CHEMICAL CO (JP) 2020-08-26 EP claimed
US-10370384-B2 Method for producing diol having cyclic acetal skeleton MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-08-06 US claimed
US-20190055259-A1 METHOD FOR PRODUCING DIOL HAVING CYCLIC ACETAL SKELETON MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-02-21 US claimed
EP-3431479-A1 METHOD FOR PRODUCING DIOL HAVING CYCLIC ACETAL SKELETON Mitsubishi Gas Chemical Company, Inc. (JP) 2019-01-23 EP claimed
CN-108779125-A METHOD FOR PRODUCING DIOL HAVING CYCLIC ACETAL SKELETON 三菱瓦斯化学株式会社 2018-11-09 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
EP-0420770-A1 Process for the preparation of dihydroxy esters EASTMAN CHEMICAL COMPANY (US) 1991-04-03 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 (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-10370384-B2 Method for producing diol having cyclic acetal skeleton HPD, DHPS, GRHPR TP53 4201/4885ALDH1A1 153/4885GABRR1 2983/4885
US-12122737-B2 Method for continuously producing diols from aldehydes by means of Raney cobalt catalysis C9, ADH1C, HAO2 TP53 3227/4885ALDH1A1 120/4885GABRR1 3950/4885
US-20190055259-A1 METHOD FOR PRODUCING DIOL HAVING CYCLIC ACETAL SKELETON HPD, DHPS, GRHPR TP53 4201/4885ALDH1A1 153/4885GABRR1 2983/4885

“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.