SCHEMBL6926548

SCHEMBL6926548

COC(=O)CC(=O)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.59
MAPT P10636 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HPGD P15428 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
KDM4E B2RXH2 2/20 0.55
GMNN O75496 2/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.55
MAPK1 P28482 2/20 0.55
BLM P54132 2/20 0.55
PMP22 Q01453 2/20 0.55
CMKLR1 Q99788 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP1A2 P05177 2/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL26597083 0.85 CNR2 (0.62) PTPN1MAPTALDH1A1MEN1KMT2A
SCHEMBL854153 0.85 CDC25B (0.60) PTPN1MAPTALDH1A1MEN1KMT2A
SCHEMBL5857951 0.85 PTPN1 (0.71) PTPN1MAPTALDH1A1MEN1KMT2A
SCHEMBL29457006 0.85 PTPN1 (0.71) PTPN1MAPTALDH1A1MEN1KMT2A
SCHEMBL8948846 0.83 MTNR1A (0.46) PTPN1MAPTALDH1A1MEN1KMT2A
SCHEMBL4707024 0.82 PTPN1 (0.62) PTPN1MAPTALDH1A1MEN1KMT2A
SCHEMBL8948915 0.82 MTNR1A (0.45) PTPN1MAPTALDH1A1MEN1KMT2A
SCHEMBL22534104 0.81 POLB (0.50) PTPN1MAPTALDH1A1MEN1KMT2A
SCHEMBL8396440 0.81 PTPN1 (0.61) PTPN1MAPTALDH1A1MEN1KMT2A
Methoxymethane SCHEMBL29175314 0.81 PTPN1 (0.61) PTPN1MAPTALDH1A1MEN1KMT2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516210-A Preparation method of 2,3-dicyanofuran compound UNIV EAST CHINA SCIENCE & TECH 2012-06-27 CN claimed
CN-112755022-B Application of 3-aryl pyrazolone compound in preparation of pancreatic lipase inhibitor 浙江工业大学 2022-07-22 CN disclosed
CN-112755022-A Application of 3-aryl pyrazolone compound in preparation of pancreatic lipase inhibitor 浙江工业大学 2021-05-07 CN disclosed
US-20150239864-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF SOOCHOW UNIVERSITY (CN) 2015-08-27 US disclosed
EP-2889294-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF Soochow University (CN) 2015-07-01 EP disclosed
CN-102993166-B Preparation method and application of 3H-1,2-dithiole-3-thioketone compound UNIV SOOCHOW 2015-05-13 CN disclosed
CN-102807557-B 3H-1,2-dithio-cyclopentene-3-thioketone compound and application thereof UNIV SOOCHOW 2015-02-04 CN disclosed
CN-102993166-A Preparation method and application of 3H-1,2-dithiole-3-thioketone compound UNIV SOOCHOW 2013-03-27 CN disclosed
CN-102807557-A 3H-1,2-dithio-cyclopentene-3-thioketone compound and application thereof UNIV SOOCHOW 2012-12-05 CN disclosed
CN-102516210-A Preparation method of 2,3-dicyanofuran compound UNIV EAST CHINA SCIENCE & TECH 2012-06-27 CN disclosed
EP-1045846-B1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2003-05-02 EP disclosed
US-6518429-B2 Anticancer agents, treating restenosis, atherosclerosis and hepatitis virus LG CHEMICAL, LTD. (KR) 2003-02-11 US disclosed
US-6472526-B1 SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE OR PHARMACEUTICALLY ACCEPTABLE SALTS OR ISOMERS THEREOF, IN PHARMACEUTICAL COMPOSITION AND INTERMEDIATES LG CHEMICAL LTD. (KR) 2002-10-29 US disclosed
US-20020137769-A1 Imidazole derivatives having an inhibitory activity for farnesyl transferase and process for preparation thereof LG CHEMICAL LTD. 2002-09-26 US disclosed
US-6268363-B1 ANTITUMOR LG CHEMICAL LTD. (KR) 2001-07-31 US disclosed
EP-1045846-A1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LIMITED (KR) 2000-10-25 EP disclosed
WO-1999028315-A1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD. (KR) 1999-06-10 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 (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-20150239864-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF TXN2, TXN, TXNRD2 PTPN1 1945/4885MAPT 3443/4885ALDH1A1 370/4885
US-20020137769-A1 Imidazole derivatives having an inhibitory activity for farnesyl transferase and process for preparation thereof FNTA, FNTB, FDPS PTPN1 3281/4885MAPT 2463/4885ALDH1A1 646/4885

“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.