SCHEMBL4563082

SCHEMBL4563082

CCCOC(=O)COc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.55
▸ LMNA P02545 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ PPARD Q03181 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ RECQL P46063 1/20 0.49

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
SCHEMBL11655422 0.90 LTA4H (0.61) TSHRLTA4HRECQL
SCHEMBL28874771 0.88 LTA4H (0.59) TSHRLTA4HRECQL
N-Amyl Phenoxyacetate SCHEMBL8673101 0.88 LTA4H (0.60) TSHRLTA4HTP53CYP3A4
SCHEMBL28425775 0.87 RAB9A (0.64) ALOX15LMNATDP1ALDH1A1MAPT
SCHEMBL3156982 0.87 PLA2G4B (0.60) TSHRLTA4HTP53
SCHEMBL21381323 0.87 PLA2G4B (0.60) TSHRLTA4HTP53
SCHEMBL570689 0.87 PLA2G4B (0.60) TSHRLTA4HTP53
SCHEMBL21384549 0.87 PLA2G4B (0.60) TSHRLTA4HTP53
SCHEMBL9627007 0.87 PLA2G4B (0.60) TSHRLTA4HTP53
SCHEMBL28304205 0.87 PLA2G4B (0.60) TSHRLTA4HTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115725035-A Slump-retaining concrete superplasticizer, preparation method and application thereof 博特新材料泰州有限公司 2023-03-03 — — CN claimed
US-20230331767-A1 TARGETED STEROID COMPOUNDS PURDUE RESEARCH FOUNDATION 2023-10-19 — — US disclosed
CN-115725035-A Slump-retaining concrete superplasticizer, preparation method and application thereof 博特新材料泰州有限公司 2023-03-03 — — CN disclosed
CN-115594588-A Preparation method of phenoxyacetic acid ester 山东潍坊润丰化工股份有限公司(CN) 2023-01-13 — — CN 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
CN-108947822-A A kind of preparation method of phenoxy carboxylic acid herbicides 山东润博生物科技有限公司 2018-12-07 — — CN disclosed
CN-108947806-A A kind of preparation method of chlorobenzene oxycarboxylic acid amine salt 山东润博生物科技有限公司 2018-12-07 — — CN disclosed
CN-108947811-A Preparation method of phenoxy carboxylate herbicide 山东润博生物科技有限公司 2018-12-07 — — CN disclosed
CN-108947815-A A kind of preparation method of chlorobenzene oxycarboxylic acid ester 山东润博生物科技有限公司 2018-12-07 — — CN disclosed
CN-108947807-A A kind of preparation method of chlorobenzene oxycarboxylic acid amine salt 山东润博生物科技有限公司 2018-12-07 — — CN disclosed
CN-108947821-A A kind of preparation method of chlorobenzene oxycarboxylic acid ester 山东润博生物科技有限公司 2018-12-07 — — CN 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-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 — — EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 — — 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-20230331767-A1 TARGETED STEROID COMPOUNDS CYP11B2, FOLR2, CYP11B1 ALOX15 250/4885LMNA 1476/4885TDP1 3532/4885
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B ALOX15 189/4885LMNA 622/4885TDP1 784/4885

“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.

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