SCHEMBL213828

SCHEMBL213828

C[C@H](O)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP3A4 P08684 6/20 0.47
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ACHE P22303 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KCNH2 Q12809 6/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 4/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38

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
SCHEMBL342468 1.00 CES2 (0.48) CES2CES1CYP3A4GABRA1GABRB2
SCHEMBL14088059 1.00 CES2 (0.48) CES2CES1CYP3A4GABRA1GABRB2
SCHEMBL625219 1.00 CES2 (0.48) CES2CES1CYP3A4GABRA1GABRB2
SCHEMBL29609066 1.00 CES2 (0.48) CES2CES1CYP3A4GABRA1GABRB2
Phthalic Acid SCHEMBL3628213 0.84 CES2 (0.54) CES2CES1CYP3A4MEN1KMT2A
Phthalic Acid SCHEMBL3628215 0.84 CES2 (0.54) CES2CES1CYP3A4MEN1KMT2A
SCHEMBL9667214 0.83 PDE2A (0.50) CES2CES1CYP3A4GABRA1GABRB2
SCHEMBL11602791 0.81 CES2 (0.54) CES2CES1CYP3A4ACHEIDO1
SCHEMBL23363630 0.81 CES2 (0.52) CES2CES1CYP3A4GABRA1GABRB2
SCHEMBL5684729 0.81 CES2 (0.46) CES2CES1CYP3A4GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110002961-B Method for racemization-free synthesis of chiral alcohol 三峡大学 2022-05-03 CN claimed
CN-105087671-A Method for preparing (S)-fluoro-phenyl ethanol with penicillium UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-25 CN 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
US-12281058-B2 Manganese catalysts and their use in hydrogenation of ketones UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2025-04-22 US disclosed
CN-112716927-B Alpha-amino amide compound and preparation method and application thereof 复旦大学 2022-10-14 CN disclosed
CN-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed
CN-110002961-B Method for racemization-free synthesis of chiral alcohol 三峡大学 2022-05-03 CN disclosed
US-20220119329-A1 Manganese Catalysts and Their Use in Hydrogenation of Ketones UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2022-04-21 US disclosed
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2021-11-16 US disclosed
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2021-11-16 US disclosed
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 disclosed
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 disclosed
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 disclosed
CN-101016526-A Oxidization microbacterium and method of preparing optical pure chiral aryl secondary alcohol by the same UNIV EAST CHINA SCIENCE & TECH (CN) 2007-08-15 CN disclosed
US-20060046289-A1 Novel carbonyl reductase, gene thereof and use of the same KANEKA CORPORATION (JP) 2006-03-02 US disclosed
EP-1505155-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND USE OF THE SAME KANEKA CORPORATION (JP) 2005-02-09 EP disclosed
US-5296484-A Applying fungicide to locus of plant pathogen DOWELANCO (US) 1994-03-22 US 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 (4 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-12281058-B2 Manganese catalysts and their use in hydrogenation of ketones CYC1, SCO2, MT-CO3 CES2 2134/4885CES1 2530/4885CYP3A4 1922/4885
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents KCND2, SCN1A, CACNA1D CES2 446/4885CES1 778/4885CYP3A4 414/4885
US-20060046289-A1 Novel carbonyl reductase, gene thereof and use of the same CBR3, CBR1, ADH1C CES2 1212/4885CES1 799/4885CYP3A4 686/4885
US-20220119329-A1 Manganese Catalysts and Their Use in Hydrogenation of Ketones CYC1, SCO2, MT-CO3 CES2 2134/4885CES1 2530/4885CYP3A4 1922/4885

“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.