SCHEMBL3776592

SCHEMBL3776592

CCCCC(CC)C(=O)OCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.57
PPARG P37231 8/20 0.56
PTGES O14684 7/20 0.56
ALOX5 P09917 7/20 0.56
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PSEN1 P49768 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46

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
SCHEMBL29852251 0.94 CTSK (0.52) CTSKPPARGPTGESALOX5CA2
SCHEMBL11049297 0.93 CTSK (0.58) CTSKPPARGPTGESALOX5CA2
Hydrochloric Acid SCHEMBL5128045 0.92 CTSK (0.57) CTSKPPARGPTGESALOX5CA2
SCHEMBL16672761 0.91 CA1 (0.59) CTSKPPARGPTGESALOX5CA2
SCHEMBL16672640 0.91 CA1 (0.58) CTSKPPARGPTGESALOX5CA2
SCHEMBL19024639 0.90 CTSK (0.56) CTSKPPARGPTGESALOX5CA2
SCHEMBL19024668 0.88 CTSK (0.54) CTSKPPARGPTGESALOX5CA2
SCHEMBL19024849 0.88 CTSK (0.54) CTSKPPARGPTGESALOX5CA2
SCHEMBL19024769 0.88 CTSK (0.54) CTSKPPARGPTGESALOX5CA2
SCHEMBL19024708 0.88 CTSK (0.54) CTSKPPARGPTGESALOX5CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008014505-A2 BLENDS FOR IMPROVED SOLUBILIZATION OF ACTIVE AND FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTMENTS INC. (US) 2008-01-31 WO claimed
JP-6108086-A None JP disclosed
JP-6158088-A None JP disclosed
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-20130136706-A1 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS AQUALON COMPANY 2013-05-30 US disclosed
US-20130136706-A1 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS AQUALON COMPANY 2013-05-30 US disclosed
CN-100528828-C Production method of racemiation3-hydroxy-3- (2-phenylethyl) hexanoic acid C1-6 alkyl ester SUMIKA FINE CHEMICALS CO LTD (JP) 2009-08-19 CN disclosed
WO-2008103924-A2 MEDICATION ADHERENCE MONITORING SYSTEM UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-08-28 WO disclosed
WO-2007087278-A2 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTMENTS INC (US) 2007-08-02 WO disclosed
US-20070172437-A1 Solubilizing agents for active or functional organic compounds ISP INVESTMENTS INC. 2007-07-26 US disclosed
US-20070172437-A1 Solubilizing agents for active or functional organic compounds ISP INVESTMENTS INC. 2007-07-26 US disclosed
CN-1982284-A Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof SUMIKA FINE CHEMICALS CO LTD (JP) 2007-06-20 CN disclosed
CN-1301244-C Process for producing -3-hydroxy-3- (2-phenylethyl) hexanoic acid and intermediates thereof SUMITOMO CHEMICAL CO (JP) 2007-02-21 CN disclosed
CN-1617846-A Process for producing -3-hydroxy-3- (2-phenylethyl) hexanoic acid and intermediates thereof SUMITOMO CHEMICAL CO (JP) 2005-05-18 CN disclosed
JP-H06158088-A LOW-ALCOHOL PERFUME COMPOSITION SHISEIDO CO LTD 1994-06-07 JP disclosed
JP-H06108086-A LOW-ALCOHOL PERFUME COMPOSITION SHISEIDO CO LTD 1994-04-19 JP 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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B CTSK 818/4885PPARG 688/4885PTGES 321/4885
US-20130136706-A1 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS CEL, PIGO, ERG28 CTSK 851/4885PPARG 56/4885PTGES 864/4885
US-20070172437-A1 Solubilizing agents for active or functional organic compounds CEL, PIGO, ERG28 CTSK 851/4885PPARG 56/4885PTGES 864/4885

“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.