SCHEMBL5488854

SCHEMBL5488854

CC(C(=O)O)c1ccc(O)c(I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.47
AKR1C2 P52895 11/20 0.47
PTGS2 P35354 7/20 0.47
PTGS1 P23219 6/20 0.47
TSHR P16473 2/20 0.47
SLC22A6 Q4U2R8 2/20 0.47
CDC42 P60953 1/20 0.47
RAC1 P63000 1/20 0.47
CYP1A2 P05177 1/20 0.47
FOLH1 Q04609 2/20 0.47
CHRM1 P11229 1/20 0.45
APP P05067 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
FABP2 P12104 1/20 0.45
AKR1C4 P17516 1/20 0.45
ADRA2B P18089 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL490579 0.82 TDP1 (0.55) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL32660739 0.82 TDP1 (0.55) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL28183228 0.81 TDP1 (0.53) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL1741372 0.80 PTGS2 (0.44) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL3227547 0.80 THRB (0.60) TSHRCYP1A2CYP2C9MEN1KMT2A
SCHEMBL11218780 0.79 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL30526268 0.79 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL23513402 0.79 CYP2C9 (0.47) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL788149 0.78 ALDH1A1 (0.57) PTGS1TSHRCYP1A2FOLH1CYP3A4
SCHEMBL11112214 0.78 ESR1 (0.46) PTGS1TSHRFOLH1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402490-B Preparation method of 1,2,6, 7-tetrahydro-8H-indeno [5,4-b ] furan-8-one 白银京宇新药业有限公司 2023-01-03 CN disclosed
CN-113402490-A Preparation method of 1,2,6, 7-tetrahydro-8H-indeno [5,4-b ] furan-8-one 白银京宇新药业有限公司 2021-09-17 CN disclosed
EP-1783221-A1 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MIGENIX Corp. (US) 2007-05-09 EP disclosed
US-7001729-B2 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MIGENIX CORP. (US) 2006-02-21 US disclosed
US-6906175-B2 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor. MIGENIX CORP. (US) 2005-06-14 US disclosed
US-6902908-B2 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MIGENIX CORP. (US) 2005-06-07 US disclosed
US-6887670-B2 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MIGENIX CORP. (US) 2005-05-03 US disclosed
US-20050064530-A1 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR MIGENIX CORP. 2005-03-24 US disclosed
US-20050019835-A1 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR MIGENIX CORP. 2005-01-27 US disclosed
US-20050003353-A1 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR MIGENIX CORP. 2005-01-06 US disclosed
US-20050003352-A1 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR MIGENIX CORP. 2005-01-06 US disclosed
US-20040241801-A1 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MITOKOR, INC. 2004-12-02 US disclosed
EP-1283884-A2 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR MITOKOR (US) 2003-02-19 EP disclosed
US-20020012992-A1 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MIGENIX CORP. 2002-01-31 US disclosed
US-20010044144-A1 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MIGENIX CORP. 2001-11-22 US disclosed
WO-2001085944-A2 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR MITOKOR (US) 2001-11-15 WO disclosed
WO-2000026370-A9 ADENINE NUCLEOTIDE TRANSLOCATOR (ANT) FUSION PROTEINS AND USES THEREOF MITOKOR (US) 2001-11-15 WO disclosed
EP-1049780-A1 ADENINE NUCLEOTIDE TRANSLOCATOR (ANT) FUSION PROTEINS AND USES THEREOF MITOKOR (US) 2000-11-08 EP disclosed
WO-2000026370-A2 ADENINE NUCLEOTIDE TRANSLOCATOR (ANT) FUSION PROTEINS AND USES THEREOF MITOKOR (US) 2000-05-11 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 (6 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-20010044144-A1 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor GART, TMEM165, SLC43A3 AKR1C3 1316/4885AKR1C2 894/4885PTGS2 2680/4885
US-20050003353-A1 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR GART, TMEM165, SLC43A3 AKR1C3 1316/4885AKR1C2 894/4885PTGS2 2680/4885
US-20040241801-A1 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor GART, TMEM165, SLC43A3 AKR1C3 1316/4885AKR1C2 894/4885PTGS2 2680/4885
US-20050003352-A1 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR GART, TMEM165, SLC43A3 AKR1C3 1316/4885AKR1C2 894/4885PTGS2 2680/4885
US-20050064530-A1 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR GART, TMEM165, SLC43A3 AKR1C3 1316/4885AKR1C2 894/4885PTGS2 2680/4885
US-20020012992-A1 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor GART, TMEM165, SLC43A3 AKR1C3 1316/4885AKR1C2 894/4885PTGS2 2680/4885

“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.