SCHEMBL2598073

SCHEMBL2598073

CCOC(=O)C(C)(C)OS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
PPARA Q07869 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
ALDH1A1 P00352 2/20 0.37
PKM P14618 3/20 0.37
MMP8 P22894 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL15858631 0.83 CYP4F2 (0.42) CYP4F2CYP4A11PPARAABCB11CYP1A2
SCHEMBL17469690 0.83 CYP4F2 (0.42) CYP4F2CYP4A11PPARAABCB11CYP1A2
SCHEMBL10601256 0.82 CYP4F2 (0.38) CYP4F2CYP4A11PPARAABCB11CYP1A2
SCHEMBL11979568 0.79 CYP4F2 (0.42) CYP4F2CYP4A11PPARAABCB11CYP1A2
SCHEMBL3441321 0.77 TSHR (0.35) CYP3A4TSHR
SCHEMBL3441320 0.76 DGAT1 (0.38) TSHRKMT2ALMNA
SCHEMBL1620933 0.74 CYP4F2 (0.41) CYP4F2CYP4A11PPARAABCB11CYP1A2
SCHEMBL195662 0.73 CYP4F2 (0.56) CYP4F2CYP4A11PPARAABCB11CYP1A2
SCHEMBL445726 0.73 CYP4F2 (0.47) CYP4F2CYP4A11PPARAABCB11CYP1A2
SCHEMBL1607418 0.72 CYP4F2 (0.40) CYP4F2CYP4A11PPARAABCB11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119822932-A Synthesis method of 2- (1- (3, 3-dimethylcyclohexyl) ethoxy) -2-methyl-1-propanol 万华化学集团股份有限公司 2025-04-15 CN disclosed
EP-2571843-B1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2017-12-27 EP disclosed
EP-2571843-B1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2017-12-27 EP disclosed
US-8765992-B2 Preparation of chalcone derivatives GENFIT (FR) 2014-07-01 US disclosed
US-8765992-B2 Preparation of chalcone derivatives GENFIT (FR) 2014-07-01 US disclosed
US-8765992-B2 Preparation of chalcone derivatives GENFIT (FR) 2014-07-01 US disclosed
US-8580429-B2 Non-aqueous electrolyte for a lithium battery, lithium battery wherein said electrolyte is used, and hydroxy-acid derivative for use in said electrolyte UBE INDUSTRIES, LTD. (JP) 2013-11-12 US disclosed
EP-2251926-B1 NON-AQUEOUS ELECTROLYTE FOR A LITHIUM BATTERY, LITHIUM BATTERY USING SAID ELECTROLYTE, AND HYDROXY-ACID DERIVATIVE FOR USE IN SAID ELECTROLYTE UBE INDUSTRIES (JP) 2013-09-11 EP disclosed
US-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2013-05-23 US disclosed
US-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2013-05-23 US disclosed
US-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2013-05-23 US disclosed
EP-2571843-A1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES Genfit (FR) 2013-03-27 EP disclosed
WO-2011144579-A1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2011-11-24 WO disclosed
WO-2011144579-A1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2011-11-24 WO disclosed
US-20110064998-A1 NON-AQUEOUS ELECTROLYTE FOR A LITHIUM BATTERY, LITHIUM BATTERY WHEREIN SAID ELECTROLYTE IS USED, AND HYDROXY-ACID DERIVATIVE FOR USE IN SAID ELECTROLYTE UBE INDUSTRIES, LTD. (JP) 2011-03-17 US disclosed
EP-2251926-A1 NON-AQUEOUS ELECTROLYTE FOR A LITHIUM BATTERY, LITHIUM BATTERY WHEREIN SAID ELECTROLYTE IS USED, AND HYDROXY-ACID DERIVATIVE FOR USE IN SAID ELECTROLYTE Ube Industries, Ltd. (JP) 2010-11-17 EP 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-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES SULT1E1, HCCS, STS CYP4F2 169/4885CYP4A11 269/4885PPARA 1760/4885
US-20110064998-A1 NON-AQUEOUS ELECTROLYTE FOR A LITHIUM BATTERY, LITHIUM BATTERY WHEREIN SAID ELECTROLYTE IS USED, AND HYDROXY-ACID DERIVATIVE FOR USE IN SAID ELECTROLYTE HCN2, SLC9A1, SLC9B2 CYP4F2 2054/4885CYP4A11 1560/4885PPARA 3634/4885

“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.