SCHEMBL13461

SCHEMBL13461

CC(=O)c1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.65
CES1 P23141 3/20 0.65
ALDH1A1 P00352 3/20 0.60
ALOX15 P16050 1/20 0.60
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 2/20 0.52
NPC1 O15118 5/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 3/20 0.49
HTT P42858 1/20 0.48
PTPN1 P18031 1/20 0.48
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
BCHE P06276 1/20 0.48
TP53 P04637 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
SCHEMBL29593208 1.00 CES2 (0.65) CES2CES1ALDH1A1ALOX15GAA
Hydrochloric Acid SCHEMBL7418290 0.98 CES2 (0.62) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL29169247 0.93 CES2 (0.58) CES2CES1ALDH1A1ALOX15GAA
Fluorobenzene SCHEMBL28799844 0.91 CES2 (0.56) CES2CES1ALDH1A1ALOX15GAA
Isopropyl Alcohol SCHEMBL29078917 0.91 CES2 (0.56) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL8585697 0.84 ALDH1A1 (0.50) CES2CES1ALDH1A1ALOX15GAA
Ethyl Acetate SCHEMBL29078921 0.83 SMN1; SMN2 (0.56) CES2CES1ALDH1A1ALOX15GAA
Salicylamide SCHEMBL27677224 0.83 ALDH1A1 (0.66) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL1515817 0.82 CES2 (0.50) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL29772247 0.81 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA

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 1438 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117832491-B Positive electrode additive, preparation method thereof, positive electrode plate, secondary battery and battery pack Xiamen Haichen Energy Storage Technology Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-119776306-A Carbonyl reductase mutant and application thereof in synthesis of chiral alcohol compound 浙江工业大学 2025-04-08 CN claimed
CN-117285411-B Preparation method of 2' -bromo-o-fluoro acetophenone 扬州市普林斯医药科技有限公司 2025-03-04 CN claimed
CN-119409630-A Asymmetric polyfluoro-substituted 2,4' -biquinoline-4-amide derivative and preparation method and application thereof 郑州工业应用技术学院 2025-02-11 CN claimed
CN-118108705-A Preparation method of voronoi fumarate 浙江工业大学 2024-05-31 CN claimed
CN-115109759-B Carbonyl reductase LsCR mutant, engineering bacterium and application thereof in preparation of chiral alcohol by asymmetric reduction of carbonyl compound 浙江工业大学 2024-05-03 CN claimed
CN-117832491-A Positive electrode additive, preparation method thereof, positive electrode plate, secondary battery and battery pack 厦门海辰储能科技股份有限公司 2024-04-05 CN claimed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO claimed
CN-117534656-A Preparation method of voronoi fumarate 寿光富康制药有限公司 2024-02-09 CN claimed
CN-117285411-A Preparation method of 2' -bromo-o-fluoro acetophenone 扬州市普林斯医药科技有限公司 2023-12-26 CN claimed
CN-108440307-B Preparation method of chiral amine compound 浙江工业大学 2020-11-17 CN claimed
CN-111909194-A Method for catalyzing ketone cyanogen silicification reaction by deprotonated phenyl bridging beta-ketimine lithium complex 苏州大学 2020-11-10 CN claimed
CN-105085439-B A kind of preparation method of epoxiconazole intermediate 江苏七洲绿色化工股份有限公司 2018-03-16 CN claimed
CN-105085439-A Preparation method for epoxiconazole intermediate JIANGSU SEVENCONTINENT GREEN CHEMICAL CO LTD 2015-11-25 CN claimed
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 US claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
EP-1505155-B1 CARBONYL REDUCTASE, GENE THEREOF AND USE OF THE SAME KANEKA CORP (JP) 2008-12-03 EP claimed
US-7332312-B2 Polynucleotide encoding a polypeptide having activity in asymmetrically reducing 2-chloro-1-(3'-chlorophenyl)ethanone, for producing optically active 3-hydroxy ester derivatives KANEKA CORPORATION (JP) 2008-02-19 US claimed
US-20060046289-A1 Novel carbonyl reductase, gene thereof and use of the same KANEKA CORPORATION (JP) 2006-03-02 US claimed
EP-1505155-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND USE OF THE SAME KANEKA CORPORATION (JP) 2005-02-09 EP claimed

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-20060046289-A1 Novel carbonyl reductase, gene thereof and use of the same CBR3, CBR1, ADH1C CES2 1212/4885CES1 799/4885ALDH1A1 123/4885

“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.