SCHEMBL4483638

SCHEMBL4483638

OC(COC(COCc1ccccc1)COCc1ccccc1)COC(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.61
CA2 P00918 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.49
SLC1A1 P43005 1/20 0.47
TACR1 P25103 2/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AGER Q15109 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL23455700 0.89 CA1 (0.54) CA1CA2CA7CA9TSHR
SCHEMBL3543518 0.89 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL397022 0.86 CA1 (0.78) CA1CA2CA7CA9TSHR
SCHEMBL4535810 0.84 TSHR (0.58) CA1CA2CA7CA9TSHR
SCHEMBL9575541 0.82 TSHR (0.56) CA1CA2CA7CA9TSHR
SCHEMBL22113527 0.82 CA1 (0.62) CA1CA2CA7CA9TSHR
SCHEMBL31390773 0.82 CA1 (0.62) CA1CA2CA7CA9TSHR
SCHEMBL12221964 0.82 CA1 (0.49) CA1CA2CA7CA9TSHR
SCHEMBL13260741 0.81 TACR1 (0.54) CA1CA2CA7CA9TSHR
SCHEMBL22661236 0.81 CA1 (0.46) CA1CA2CA7CA9TSHR

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-9738741-B2 Amphiphilic macromolecule and use thereof BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2017-08-22 US disclosed
US-9738741-B2 Amphiphilic macromolecule and use thereof BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2017-08-22 US disclosed
EP-2738190-B1 AMPHIPHILIC MACROMOLECULE AND USE BEIJING JUNLUN RUNZHONG SCIENCE&TECHNOLOGY CO LTD (CN) 2017-08-09 EP disclosed
US-9260555-B2 Amphiphilic macromolecule and the purpose of this amphiphilic macromolecule BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2016-02-16 US disclosed
US-9243095-B2 Amphiphilic macromolecule and use thereof BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2016-01-26 US disclosed
US-9243097-B2 Amphiphilic macromolecule and the purpose of this amphiphilic macromolecule BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2016-01-26 US disclosed
US-20150183911-A1 AMPHIPHILIC MACROMOLECULE AND THE PURPOSE OF THIS AMPHIPHILIC MACROMOLECULE BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2015-07-02 US disclosed
US-20150065672-A1 AMPHIPHILIC MACROMOLECULE AND USE THEREOF BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2015-03-05 US disclosed
US-20140350204-A1 AMPHIPHILIC MACROMOLECULE AND THE PURPOSE OF THIS AMPHIPHILIC MACROMOLECULE BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LTD. (CN) 2014-11-27 US disclosed
US-20140316092-A1 AMPHIPHILIC MACROMOLECULE AND USE THEREOF BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2014-10-23 US disclosed
US-20090297454-A1 Perfluoroalkyl-Containing Complexes, Process For Their Production As Well As Their Use SCHIRMER HEIKO 2009-12-03 US disclosed
US-7618957-B2 1-N-(Benzyloxycarbonyl)-1H,1H,2H,2H,4H,4H,5H,5H-3-aza-perfluorotridecylamine; used in NMR and x-ray diagnosis, radiodiagnosis, and radiotherapy, as well as in MRT lymphography and in blood-pool imaging BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-17 US disclosed
US-20070189969-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-08-16 US disclosed
US-20070020183-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 US disclosed
US-20070003484-A1 Hydroxypyridinone derivatives, metal complexes thereof and the use thereof for preparing conjugates with biomolecules SCHERING AG (DE) 2007-01-04 US disclosed
US-20060292079-A1 Conjugates of hydroxypyridinone derivative metal complexes with biomolecules and their use for MRI diagnosis EPIX PHARMACEUTICALS, INC. 2006-12-28 US 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 (5 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-20070020183-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use AFF1, FRG1, AFF2 CA1 3035/4885CA2 3325/4885CA7 1931/4885
US-20070189969-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use AFF1, FGB, PF4 CA1 3400/4885CA2 2998/4885CA7 2534/4885
US-20090297454-A1 Perfluoroalkyl-Containing Complexes, Process For Their Production As Well As Their Use AFF1, FGB, PF4 CA1 3400/4885CA2 2998/4885CA7 2534/4885
US-20060292079-A1 Conjugates of hydroxypyridinone derivative metal complexes with biomolecules and their use for MRI diagnosis KLK3, HPGD, HAMP CA1 306/4885CA2 598/4885CA7 447/4885
US-20070003484-A1 Hydroxypyridinone derivatives, metal complexes thereof and the use thereof for preparing conjugates with biomolecules HPD, HAMP, KLK3 CA1 270/4885CA2 964/4885CA7 550/4885

“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.