SCHEMBL2116925

SCHEMBL2116925

O=c1cc(CO)occ1OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.75
NPC1 O15118 1/20 0.75
CYP1A2 P05177 1/20 0.75
CYP2C19 P33261 1/20 0.75
RECQL P46063 1/20 0.75
KMT2A Q03164 2/20 0.74
MEN1 O00255 1/20 0.74
DAO P14920 5/20 0.56
LDHA P00338 2/20 0.56
IDH1 O75874 1/20 0.50
KDM4E B2RXH2 1/20 0.47
TYR P14679 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL413966 0.86 RAB9A (0.76) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL9010390 0.85 DAO (0.68) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL11863320 0.85 LOXL2 (0.57) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL2116138 0.85 KMT2A (0.59) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL2432852 0.85 RAB9A (0.56) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL1584925 0.85 RAB9A (0.56) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL17440151 0.85 MEN1 (0.73) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL103357 0.83 RAB9A (0.76) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL20300582 0.82 RAB9A (0.70) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL6170692 0.82 RAB9A (0.52) RAB9ANPC1CYP1A2CYP2C19RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134688-B1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC (CA) 2016-10-05 EP claimed
US-8026261-B2 neurodegenerative diseases; to remove free iron or iron accumulation in neural tissues; iron chelators; improved chemical stability, penetration through blood brain barrier; reacting 3-hydroxy-4-pyridinone/3-hydroxy-4-pyranone derivatives; 1-cyclopropyl-2-difluoromethyl-5-hydroxy-1H-pyridin-4-one APOTEX TECHNOLOGIES INC. (CA) 2011-09-27 US claimed
EP-2134688-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE Apotex Technologies Inc. (CA) 2009-12-23 EP claimed
WO-2008116301-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC. (CA) 2008-10-02 WO claimed
US-20080242706-A1 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. 2008-10-02 US claimed
CN-113651786-B Method for synthesizing 6-hydroxy-2-ethyl-2H-pyrone- [3] by catalyzing oxidation of alpha-furopropanol and product thereof 上海万香日化有限公司 2024-04-23 CN disclosed
CN-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 CN disclosed
CN-115010826-B Chitosan oligosaccharide-hydroxypyridone conjugate, and preparation method and application thereof 浙江工商大学 2023-07-18 CN disclosed
EP-4196220-A1 TRIAZOLE-PYRIDINYL SUBSTITUTED AZACYCLOHEXYL ACETIC ACID COMPOUNDS AS LPA RECEPTOR ANTAGONISTS Viva Star Biosciences Limited (HK) 2023-06-21 EP disclosed
US-20220402873-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES AUTOTAC INC. (KR) 2022-12-22 US disclosed
US-20220402873-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES AUTOTAC INC. (KR) 2022-12-22 US disclosed
CN-115010826-A Chitosan oligosaccharide-hydroxypyridone conjugate and preparation method and application thereof 浙江工商大学 2022-09-06 CN disclosed
US-4705871-A Aralkoxy and aryloxyalkoxy kojic acid derivatives G. D. SEARLE & CO. (US) 1987-11-10 US disclosed
EP-0243924-A2 2-Oxo-1-(substituted phosphorous)azetidines E.R. Squibb & Sons, Inc. (US) 1987-11-04 EP disclosed
US-4644071-A Aralkoxy and aryloxyalkoxy kojic acid derivatives G. D. SEARLE & CO. (US) 1987-02-17 US disclosed
EP-0209751-A2 Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA LTD. (JP) 1987-01-28 EP disclosed
US-4632985-A 3-acylamino-2-oxo-1-azetidinesulfonic acids E. R. SQUIBB & SONS, INC. (US) 1986-12-30 US disclosed
EP-0204207-A1 3-acylamino-2-oxo-1-azetidinesulfonic acids E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed
US-4603144-A Kojic acid ether-ester derivatives G. D. SEARLE & CO. (US) 1986-07-29 US disclosed
EP-0171814-A1 Kojic acid ether-ester derivatives G.D. Searle & Co. (US) 1986-02-19 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-20080242706-A1 Fluorinated derivatives of deferiprone SLC40A1, TFRC, FECH RAB9A 509/4885NPC1 104/4885CYP1A2 1377/4885
US-20220402873-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES SQSTM1, ATG7, ATG13 RAB9A 217/4885NPC1 291/4885CYP1A2 4357/4885

“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.