SCHEMBL4664895

SCHEMBL4664895

OCc1ccc(CCCOCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LTA4H P09960 2/20 0.51
EPHX2 P34913 1/20 0.51
TSHR P16473 2/20 0.50
HRH3 Q9Y5N1 2/20 0.49
HRH4 Q9H3N8 1/20 0.49
IDO1 P14902 1/20 0.48
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FFAR1 O14842 1/20 0.45
SPHK1 Q9NYA1 1/20 0.43

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
SCHEMBL4168034 0.89 TSHR (0.54) TDP1L3MBTL1LTA4HEPHX2TSHR
SCHEMBL4069939 0.89 TDP1 (0.64) TDP1L3MBTL1LTA4HEPHX2TSHR
SCHEMBL1839074 0.87 TDP1 (0.59) TDP1L3MBTL1LTA4HEPHX2TSHR
SCHEMBL3438748 0.85 TDP1 (0.60) TDP1L3MBTL1TSHRHRH3HRH4
SCHEMBL4173446 0.83 LTA4H (0.53) TDP1L3MBTL1LTA4HEPHX2TSHR
SCHEMBL4165517 0.83 L3MBTL1 (0.55) TDP1L3MBTL1LTA4HEPHX2TSHR
SCHEMBL26086950 0.82 TSHR (0.71) LTA4HEPHX2TSHRIDO1LMNA
SCHEMBL13825175 0.82 KCNH2 (0.62) TDP1L3MBTL1TSHRHRH3HRH4
SCHEMBL6510053 0.82 KCNH2 (0.62) TDP1L3MBTL1TSHRHRH3HRH4
SCHEMBL13570654 0.82 L3MBTL1 (0.58) TDP1L3MBTL1LTA4HEPHX2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238631-B2 Radiolabeled amino acids for diagnostic imaging PIRAMAL IMAGING SA (CH) 2016-01-19 US disclosed
US-9238631-B2 Radiolabeled amino acids for diagnostic imaging PIRAMAL IMAGING SA (CH) 2016-01-19 US disclosed
US-9238631-B2 Radiolabeled amino acids for diagnostic imaging PIRAMAL IMAGING SA (CH) 2016-01-19 US disclosed
US-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING PIRAMAL IMAGING SA (CH) 2015-01-08 US disclosed
US-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING PIRAMAL IMAGING SA (CH) 2015-01-08 US disclosed
US-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING PIRAMAL IMAGING SA (CH) 2015-01-08 US disclosed
EP-2705012-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING Piramal Imaging SA (CH) 2014-03-12 EP disclosed
WO-2012150220-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-11-08 WO disclosed
EP-2520556-A1 Radiolabeled amino acids for diagnostic imaging Bayer Pharma Aktiengesellschaft (DE) 2012-11-07 EP disclosed
EP-2520556-A1 Radiolabeled amino acids for diagnostic imaging Bayer Pharma Aktiengesellschaft (DE) 2012-11-07 EP disclosed
EP-1364957-B1 GLYCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-12-31 EP disclosed
US-7189702-B2 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-03-13 US disclosed
US-7087579-B2 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-08-08 US disclosed
US-20060142209-A1 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. 2006-06-29 US disclosed
US-20040132669-A1 Human sodium glucose co-transporter 2 (SGLT2) inhibitors; hypoglycemic agents, antidiabetic agents; obesity; prodrugs KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
EP-1364957-A1 GLYCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-11-26 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 (3 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-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING SLC1A5, SLC6A19, BCAT2 TDP1 3981/4885L3MBTL1 3249/4885LTA4H 2793/4885
US-20040132669-A1 Human sodium glucose co-transporter 2 (SGLT2) inhibitors; hypoglycemic agents, antidiabetic agents; obesity; prodrugs SLC5A2, SLC5A1, SLC2A1 TDP1 3345/4885L3MBTL1 1880/4885LTA4H 3888/4885
US-20060142209-A1 Glucopyranosyloxypyrazole derivatives and medicinal use thereof SLC5A2, SLC5A1, UGGT1 TDP1 4296/4885L3MBTL1 2163/4885LTA4H 3519/4885

“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.