SCHEMBL3280876

SCHEMBL3280876

CCOC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
AKR1C3 P42330 7/20 0.68
AKR1C2 P52895 7/20 0.68
PTGS2 P35354 5/20 0.68
PTGS1 P23219 3/20 0.68
TSHR P16473 2/20 0.68
CDC42 P60953 1/20 0.68
RAC1 P63000 1/20 0.68
CYP1A2 P05177 1/20 0.68
SLC22A6 Q4U2R8 1/20 0.68
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
AKR1C1 Q04828 1/20 0.58
ABCB11 O95342 1/20 0.56

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
SCHEMBL506523 1.00 TDP1 (0.71) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL31619540 1.00 TDP1 (0.71) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL221436 0.90 TDP1 (0.71) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL1246306 0.88 TDP1 (0.68) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL27746752 0.88 TDP1 (0.68) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL13063821 0.88 TDP1 (0.71) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL9289868 0.87 PTGS2 (0.66) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL9239307 0.87 PTGS2 (0.66) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL29156025 0.87 TDP1 (0.69) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL21340468 0.87 TDP1 (0.69) TDP1L3MBTL1AKR1C3AKR1C2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110841071-B Poly (beta-amino ester) drug delivery system loaded with bioactive substances and preparation method thereof 南通大学 2023-03-31 CN claimed
CN-109464670-B Key amino acid site for regulating and controlling nucleoprotein nuclear production of influenza A virus and influenza B virus and application of key amino acid site as anti-influenza virus drug target 中国科学院微生物研究所 2022-08-02 CN claimed
US-20200297798-A1 KEY AMINO ACID SITES REGULATING NUCLEAR EXPORT OF NUCLEOPROTEIN IN INFLUENZA A AND B VIRUSES AND USE THEREOF AS ANTI-INFLUENZA VIRUS DRUG TARGETS INSTITUTE OF MICROBIOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2020-09-24 US claimed
CN-105908373-A Cellulose acetate nanometer electrospun fiber membrane preparation method for releasing prodrug like Naproxen esters 浙江浪莎内衣有限公司 2016-08-31 CN claimed
US-5912164-A TREATING ENANTIOMERS WITH ENZYME TO ENRICH SOLUTION FOR CARBOXYLIC ACID OR ALCOHOL; EFFICIENT PRODUCTION OF ANTIINFLAMMATORY AGENTS USING BIOCATALYST LABORATORIOS MENARINI S.A. (ES) 1999-06-15 US claimed
EP-0687305-B1 ESTERASE AND ITS USE IN BIOTRANSFORMATION CHIROSCIENCE LTD (GB) 1997-12-29 EP claimed
EP-0687305-A1 ESTERASE AND ITS USE IN BIOTRANSFORMATION Chiroscience Limited (GB) 1995-12-20 EP claimed
WO-1994020634-A1 ESTERASE AND ITS USE IN BIOTRANSFORMATION CHIROSCIENCE LIMITED (GB) 1994-09-15 WO claimed
CN-110841071-B Poly (beta-amino ester) drug delivery system loaded with bioactive substances and preparation method thereof 南通大学 2023-03-31 CN disclosed
EP-3737663-B1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIV COURT UNIV ST ANDREWS (GB) 2023-02-22 EP disclosed
CN-109464670-B Key amino acid site for regulating and controlling nucleoprotein nuclear production of influenza A virus and influenza B virus and application of key amino acid site as anti-influenza virus drug target 中国科学院微生物研究所 2022-08-02 CN disclosed
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2021-02-25 US disclosed
US-20200297798-A1 KEY AMINO ACID SITES REGULATING NUCLEAR EXPORT OF NUCLEOPROTEIN IN INFLUENZA A AND B VIRUSES AND USE THEREOF AS ANTI-INFLUENZA VIRUS DRUG TARGETS INSTITUTE OF MICROBIOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2020-09-24 US disclosed
CN-109464670-A Regulation A type and Type B influenza nucleoprotein go out the key amino acid site of core and its purposes as anti-influenza virus medicament target spot 中国科学院微生物研究所 2019-03-15 CN disclosed
EP-0414247-A2 Cloning, expression and sequencing of an ester hydrolase genein escherichia coli SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1991-02-27 EP disclosed
US-4912254-A Preparation of α-arylalkanoic acids SYNTEX PHARMACEUTICAL INTERNATIONAL LIMITED (BM) 1990-03-27 US disclosed
EP-0081993-B1 OPTICALLY ACTIVE ALPHA-SUBSTITUTED ARYL KETONES, THEIR PREPARATION AND THEIR USE IN PREPARING ALPHA-ARYLALKANOIC ACIDS SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1988-08-17 EP disclosed
US-4749804-A Preparation of stereoisomers of ketals SYNTEX (U.S.A.) INC. (US) 1988-06-07 US disclosed
US-4605758-A Preparation of α-arylalkanoic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LTD. (BM) 1986-08-12 US disclosed
EP-0081993-A2 Optically active alpha-substituted aryl ketones, their preparation and their use in preparing alpha-arylalkanoic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1983-06-22 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 (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-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS ADH5, HDHD5, ADH1A TDP1 3371/4885L3MBTL1 2046/4885AKR1C3 1642/4885

“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.