SCHEMBL5330868

SCHEMBL5330868

OCC(O)(CO)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 3/20 0.46
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
CA1 P00915 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL15012421 0.79 KDM4E (0.46) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL11249114 0.79 KDM4E (0.46) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL11633545 0.77 KDM4E (0.47) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL283052 0.77 KDM4E (0.47) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL1356758 0.76 TSHR (0.48) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL7943850 0.75 KDM4E (0.46) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL18560211 0.75 KDM4E (0.42) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL8096968 0.75 KDM4E (0.42) KDM4EPOLBTSHRIDO1ALDH1A1
SCHEMBL29197946 0.75 TSHR (0.43) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL584498 0.74 CYP2C19 (0.48) KDM4EPOLBTSHRIDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865149-B2 Polymeric reagents comprising a ketone or a related functional group NEKTAR THERAPEUTICS (US) 2014-10-21 US disclosed
US-20070166277-A1 Polymeric reagents comprising a ketone or a related functional group NEKTAR THERAPEUTICS 2007-07-19 US disclosed
US-7208145-B2 Useful for providing conjugates with other substances NEKTAR THERAPEUTICS AL, CORPORATION (US) 2007-04-24 US disclosed
CN-1744918-A Polymeric reagents comprising a ketone or a related functional group NEKTAR THERAPEUTICS AL CORP (US) 2006-03-08 CN disclosed
EP-1581260-A2 POLYMERIC REAGENTS COMPRISING A KETONE OR A RELATED FUNCTIONAL GROUP Nektar Therapeutics Al, Corporation (US) 2005-10-05 EP disclosed
US-20050031576-A1 Water-soluble polymer segment and a functional group such as a ketone, a ketone hydrate, a thione, wherein the functional group is part of a cyclic structure attached to polymer segment through either a direct covalent bond or through one or more atoms; useful for forming polymer-active agent conjugates NEKTAR THERAPEUTICS 2005-02-10 US disclosed
WO-2004060406-A2 POLYMERIC REAGENTS COMPRISING A KETONE OR A RELATED FUNCTIONAL GROUP NEKTAR THERAPEUTICS AL, CORPORATION (US) 2004-07-22 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-20070166277-A1 Polymeric reagents comprising a ketone or a related functional group TKT, KHK, KLK5 KDM4E 365/4885POLB 3816/4885TSHR 3097/4885
US-20050031576-A1 Water-soluble polymer segment and a functional group such as a ketone, a ketone hydrate, a thione, wherein the functional group is part of a cyclic structure attached to polymer segment through either a direct covalent bond or through one or more atoms; useful for forming polymer-active agent conjugates TKT, KHK, TK1 KDM4E 595/4885POLB 3753/4885TSHR 2446/4885

“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.