SCHEMBL6898472

SCHEMBL6898472

CC(OC(C)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.49
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
PTGS1 P23219 2/20 0.43
FFAR1 O14842 1/20 0.42
PTGS2 P35354 2/20 0.42
APAF1 O14727 1/20 0.42
MAPT P10636 1/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12807323 0.84 HCAR2 (0.46) HCAR2KMT2ACYP1A2PKMCYP2D6
SCHEMBL2783556 0.84 ESR1 (0.45) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL2784263 0.84 ESR1 (0.45) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL187761 0.83 KMT2A (0.47) HCAR2KMT2ACYP1A2GAACYP2C9
SCHEMBL16672749 0.82 KMT2A (0.58) HCAR2KMT2ALMNAPTGS1PTGS2
SCHEMBL12807282 0.81 HCAR2 (0.44) HCAR2KMT2AGAAFFAR1
SCHEMBL2000460 0.80 CYP2D6 (0.48) HCAR2KMT2ACYP2D6SRCLMNA
SCHEMBL2828624 0.80 KMT2A (0.44) HCAR2KMT2ACYP1A2GAACYP2C9
SCHEMBL16672758 0.80 L3MBTL1 (0.54) HCAR2KMT2AGAACYP2D6LMNA
SCHEMBL16673423 0.80 MMP8 (0.51) KMT2ACYP1A2GAACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1404309-A1 A PHARMACEUTICAL COMBINATION COMPRISING EITHER (S)-2-ETHOXY-3- 4-(2- 4-METHANE SULFONYL OXYPHENYL ETHOXY) PHENYL] PROPANOIC ACID OR 3- 4- 2- (4-TERT-BUTOXY CARBONYL AMINOPHENYL) ETHOXY] PHENYL -(S)-2-ETHOXY PROPANOIC ACID AND A BIGUANIDE DRUG AstraZeneca AB (SE) 2004-04-07 EP disclosed
EP-1401485-A1 A PHARMACEUTICAL COMBINATION COMPRISING EITHER (S)-2-ETHOXY-3 4-(2- 4-METHANE SULFONYL OXYPHENYL ETHOXY)PHENYL] PROPANOIC ACID OR 3- 4- 2- (4-TERT-BUTOXY CARBONYLAMINO PHENYL) ETHOXY] PHENYL -(S)-2-ETHOXY PROPANOIC ACID AND INSULIN AstraZeneca AB (SE) 2004-03-31 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 (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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B HCAR2 1125/4885KMT2A 1547/4885CYP1A2 892/4885

“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.