SCHEMBL2526232

SCHEMBL2526232

O=C(CCO)c1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
ALDH1A1 P00352 7/20 0.56
POLB P06746 6/20 0.56
HPGD P15428 5/20 0.56
HSD17B10 Q99714 5/20 0.56
RECQL P46063 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
ALOX15 P16050 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
MAPT P10636 1/20 0.56
PTPN1 P18031 1/20 0.55
CTNNB1 P35222 5/20 0.51
WNT3A P56704 5/20 0.51
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL1651850 0.89 CES2 (0.70) CES2CES1ALDH1A1POLBHPGD
SCHEMBL10048451 0.86 CES2 (0.55) CES2CES1ALDH1A1POLBHPGD
SCHEMBL8544013 0.85 CES2 (0.64) CES2CES1ALDH1A1POLBHPGD
SCHEMBL5634307 0.85 CES1 (0.53) CES2CES1ALDH1A1POLBHPGD
SCHEMBL28064749 0.83 CES2 (0.61) CES2CES1ALDH1A1POLBHPGD
SCHEMBL51450 0.83
SCHEMBL13562558 0.82 CES2 (0.50) CES2CES1ALDH1A1POLBHPGD
SCHEMBL6847623 0.82 ERCC5 (0.51) CES2CES1ALDH1A1POLBHPGD
SCHEMBL3506264 0.82 CES2 (0.59) CES2CES1ALDH1A1POLBHPGD
SCHEMBL7718179 0.82 ERCC5 (0.59) CES2CES1ALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248634-B Chitosan-Schiff/DOPO flame retardant, preparation method thereof and modified epoxy resin 衡阳师范学院 2022-09-02 CN claimed
CN-113248634-A Chitosan-Schiff/DOPO flame retardant, preparation method thereof and modified epoxy resin 衡阳师范学院 2021-08-13 CN claimed
CN-111905759-A Catalyst for preparing 2-methylfuran through selective hydrogenation of furfural, preparation method and application 江西理工大学 2020-11-10 CN claimed
CN-110193370-A The bimetallic catalyst and preparation method, application of furfural selective hydrogenation furfuryl alcohol 江西理工大学 2019-09-03 CN claimed
CN-117092267-A The method comprises the following steps of 60 Co irradiation white spirit identification method 四川省原子能研究院 2023-11-21 CN disclosed
CN-114289045-B Hydrogenation catalyst and application thereof in preparing cyclopentanone or furfuryl alcohol by catalyzing hydrogenation of furfural 南昌大学 2023-05-16 CN disclosed
CN-112479718-B Ti 3 SiC 2 MAX phase interface layer modified SiC/SiC composite material and preparation method thereof 航天特种材料及工艺技术研究所 2022-10-04 CN disclosed
CN-113248634-B Chitosan-Schiff/DOPO flame retardant, preparation method thereof and modified epoxy resin 衡阳师范学院 2022-09-02 CN disclosed
CN-114665084-A Carbon-coated TiNb2O7Preparation method of porous nanosheet negative electrode material 合肥学院 2022-06-24 CN disclosed
CN-114289045-A Hydrogenation catalyst and application thereof in preparation of cyclopentanone or furfuryl alcohol by catalyzing hydrogenation of furfural 南昌大学 2022-04-08 CN disclosed
CN-112852373-B Moisture-curing type polyurethane hot melt adhesive 东莞市德聚胶接技术有限公司 2021-11-23 CN disclosed
CN-113248634-A Chitosan-Schiff/DOPO flame retardant, preparation method thereof and modified epoxy resin 衡阳师范学院 2021-08-13 CN disclosed
US-20070105879-A1 Ready-for-use injectable solution of 9-((1,3-dihydroxypropan-2-iloxy)methyl)-2-amine-1h-purin-6(9h)-one, sterile, stable; closed system for packing the solution, process for eliminating alkaline residuals of 9-((1,3-dihydroxypropan-2-iloxy)methyl)-2-amine-1h-purin-6 (9h)-one crystals; pharmaceutical presentation as a closed system ready-for-use; uses and methods HALEX ISTAR INDUSTRIA FARMACEUTICA LTDA. (BR) 2007-05-10 US disclosed
EP-1691813-A2 READY-FOR-USE INJECTABLE SOLUTION OF 9-((1,3-DIHYDROXYPROPAN-2-ILOXY)METHYL)-2-AMINE-1H-PURIN-6(9H)-ONE, STERILE, STABLE; CLOSED SYSTEM FOR PACKING THE SOLUTION, PROCESS FOR ELIMINATING ALKALINE RESIDUALS OF 9-((1,3-DIHYDROXYPROPAN-2-ILOXY)METHYL)-2-AMINE-1H-PURIN-6(9H)-ONE CRYSTALS; PHARMACEUTICAL Halex Istar Industria Farmaceutica Ltda. (BR) 2006-08-23 EP disclosed
WO-2005051286-A2 STABLE READY-FOR-USE INJECTABLE SOLUTION OF 9-((1,3-DIHYDROXYPROPAN-2-YLOXY) METHYL)-2-AMINE-1H-PURIN-6(9H)-ONE. HALEX ISTAR INDÚSTRIA FARMACÊUTICA LTDA. (BR) 2005-06-09 WO disclosed
EP-0770147-A4 PROCESS FOR PRODUCING REFINED SUGAR INT FOOD PROCESSING INC (US) 2000-04-19 EP disclosed
EP-0797686-A1 METHOD AND APPARATUS FOR MAKING A PURE SIMPLE SUGAR SOLUTION BY HYDROLYSING AT LEAST ONE COMPOUND SUGAR IN THE PRESENCE OF A SELECTIVE ADSORBENT AGRICHIMIE (FR) 1997-10-01 EP disclosed
EP-0770147-A1 PROCESS FOR PRODUCING REFINED SUGAR INTERNATIONAL FOOD PROCESSING, INCORPORATED (US) 1997-05-02 EP disclosed
WO-1996017962-A1 METHOD AND APPARATUS FOR MAKING A PURE SIMPLE SUGAR SOLUTION BY HYDROLYSING AT LEAST ONE COMPOUND SUGAR IN THE PRESENCE OF A SELECTIVE ADSORBENT AGRICHIMIE (FR) 1996-06-13 WO disclosed
WO-1996004406-A1 PROCESS FOR PRODUCING REFINED SUGAR INTERNATIONAL FOOD PROCESSING, INCORPORATED (US) 1996-02-15 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 (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-20070105879-A1 Ready-for-use injectable solution of 9-((1,3-dihydroxypropan-2-iloxy)methyl)-2-amine-1h-purin-6(9h)-one, sterile, stable; closed system for packing the solution, process for eliminating alkaline residuals of 9-((1,3-dihydroxypropan-2-iloxy)methyl)-2-amine-1h-purin-6 (9h)-one crystals; pharmaceutical presentation as a closed system ready-for-use; uses and methods IL2, IL6, IL1RN CES2 3269/4885CES1 3963/4885ALDH1A1 1618/4885

“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.