SCHEMBL5916005

SCHEMBL5916005

OCC(CO)(CO)COP(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 3/20 0.39
IDO1 P14902 1/20 0.36
AGXT P21549 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
PTGS1 P23219 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CA1 P00915 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL194803 0.80 TSHR (0.57) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL11687302 0.78 TSHR (0.55) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL27640727 0.78 KDM4E (0.44) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL5375962 0.77 KDM4E (0.67) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL6664633 0.76 ALDH1A1 (0.35) KDM4EPOLBTSHRALDH1A1HIF1A
Bromide SCHEMBL11675628 0.76 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL7934188 0.76 TSHR (0.52) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL31544527 0.76 TSHR (0.43) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL29705157 0.74 KDM4E (0.62) KDM4EPOLBTSHRIDO1AGXT
SCHEMBL3549969 0.73 KDM4E (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116526-A1 Process for producing pentaerythritol diphosphonates TEIJIN CHEMICALS LTD. (JP) 2006-06-01 US disclosed
EP-1586576-A1 PROCESS FOR THE PRODUCTION OF PENTAERYTHRITOL DIPHOSPHONATES Teijin Chemicals, Ltd. (JP) 2005-10-19 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 (1 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-20060116526-A1 Process for producing pentaerythritol diphosphonates INPPL1, PHOSPHO1, ARL1 KDM4E 3548/4885POLB 1466/4885TSHR 1836/4885

“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.