SCHEMBL5586161

SCHEMBL5586161

COC(=O)CC1COC(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
MIF P14174 7/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 4/20 0.35
MTNR1A P48039 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.34
PRKCA P17252 1/20 0.33

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
SCHEMBL5586137 0.83 BRD4 (0.37) BRD4MIFHDAC6CYP1A2CYP2C9
SCHEMBL5586347 0.83 MIF (0.41) MIFCYP1A2CYP2D6ALDH1A1GAA
SCHEMBL9099352 0.80 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13170630 0.79 POLB (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18609127 0.79 EPHX2 (0.46) ALDH1A1GAAMAPTTSHR
SCHEMBL9389664 0.78
SCHEMBL28312580 0.78 CYP1A2 (0.43) MIFHDAC6CYP1A2CYP3A4CYP2D6
SCHEMBL28107913 0.77 MTNR1A (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15799592 0.77 ITGB3 (0.41) MIFCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28329582 0.76 TDP1 (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113286844-B Method for producing non-isocyanate polyurethanes 汉高股份有限及两合公司 2023-05-26 CN disclosed
CN-113286844-A Process for preparing non-isocyanate polyurethane 汉高股份有限及两合公司 2021-08-20 CN disclosed
CN-111540949-A Electrolyte for low-temperature operation of lithium titanate electrode, graphite electrode and lithium ion battery 帅福得美国有限公司 2020-08-14 CN disclosed
US-20140378648-A1 METHOD FOR PREPARING A COMPOUND COMPRISING AT LEAST ONE BETA-HYDROXY-URETHANE UNIT AND/OR AT LEAST ONE UPSILON-HYDROXY-URETHANE UNIT SOULES AURÉLIEN (FR) 2014-12-25 US disclosed
EP-1173899-A4 NEW ELECTROLYTES AND LITHIUM ION BATTERY USING THE SAME LG CHEMICAL LTD (KR) 2007-01-17 EP disclosed
US-6692874-B2 STABILITY OF CHARGING, DISCHARGING CYCLES AT LOW TEMPERATURE; ALKYL CARBONATE SOLVENT LG CHEMICAL CO., LTD. (KR) 2004-02-17 US disclosed
US-20030087162-A1 Stability of charging, discharging cycles at low temperature; alkyl carbonate solvent LG ENERGY SOLUTION, LTD. (KR) 2003-05-08 US disclosed
EP-1173899-A1 NEW ELECTROLYTES AND LITHIUM ION BATTERY USING THE SAME LG Chemical Co. Ltd (KR) 2002-01-23 EP disclosed
WO-2001052340-A1 NEW ELECTROLYTES AND LITHIUM ION BATTERY USING THE SAME LG CHEMICAL CO., LTD (KR) 2001-07-19 WO 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-20140378648-A1 METHOD FOR PREPARING A COMPOUND COMPRISING AT LEAST ONE BETA-HYDROXY-URETHANE UNIT AND/OR AT LEAST ONE UPSILON-HYDROXY-URETHANE UNIT OTUB1, UCHL1, UBE2E1 BRD4 2488/4885MIF 4069/4885HDAC6 3026/4885
US-20030087162-A1 Stability of charging, discharging cycles at low temperature; alkyl carbonate solvent SCO2, KCNN1, KCNN2 BRD4 1659/4885MIF 3810/4885HDAC6 3471/4885

“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.