SCHEMBL1728331

SCHEMBL1728331

O=Cc1ccc(CCCOCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
HRH4 Q9H3N8 1/20 0.46
IDO1 P14902 1/20 0.44
TSHR P16473 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 1/20 0.42
SPHK1 Q9NYA1 1/20 0.41
RAB9A P51151 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL4173773 0.90 TSHR (0.47) TDP1L3MBTL1AKR1B10AKR1B1TSHR
SCHEMBL7369619 0.84 TSHR (0.62) AKR1B10AKR1B1IDO1TSHRMAOA
SCHEMBL4069939 0.84 TDP1 (0.64) TDP1L3MBTL1HRH3HRH4IDO1
SCHEMBL2269133 0.83 ALDH1A1 (0.58) TDP1L3MBTL1MAOAMAOBLMNA
SCHEMBL17278365 0.82 ALDH1A1 (0.54) MAOAMAOB
SCHEMBL2225297 0.82 ALDH1A1 (0.54) MAOAMAOB
SCHEMBL3438748 0.81 TDP1 (0.60) TDP1L3MBTL1HRH3HRH4IDO1
SCHEMBL2233399 0.80 HPGD (0.58) LMNAFFAR1RAB9A
SCHEMBL947314 0.80 FFAR1 (0.59) MAOAMAOBLMNAFFAR1RAB9A
SCHEMBL1839074 0.80 TDP1 (0.59) TDP1L3MBTL1AKR1B10AKR1B1HRH3

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 28 patents — showing the first 20. 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
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 US disclosed
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1609798-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-12-28 EP disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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 (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 3249/4885AKR1B10 3429/4885
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD TDP1 4702/4885L3MBTL1 4513/4885AKR1B10 1903/4885
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 TDP1 4288/4885L3MBTL1 2011/4885AKR1B10 170/4885

“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.