SCHEMBL3082091

SCHEMBL3082091

OC1(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
SLC6A1 P30531 1/20 0.35
HRH4 Q9H3N8 1/20 0.33
TK1 P04183 2/20 0.33
ELANE P08246 1/20 0.33
CHRM3 P20309 6/20 0.33
OPRL1 P41146 2/20 0.33
ALDH1A1 P00352 1/20 0.32
DUT P33316 1/20 0.32
OPRM1 P35372 1/20 0.32
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL22091847 0.93 KIF11 (0.43) KIF11CYP2C9CYP2C19ALOX15TSHR
SCHEMBL29805216 0.93 KIF11 (0.43) KIF11CYP2C9CYP2C19ALOX15TSHR
SCHEMBL9665518 0.76 KIF11 (0.39) KIF11CYP2C9CYP2C19ALOX15TSHR
SCHEMBL8586505 0.73 KIF11 (0.36) KIF11CYP2C9CYP2C19SLC6A1TK1
SCHEMBL188157 0.73 KIF11 (0.42) KIF11CYP2C9CYP2C19ALOX15TSHR
SCHEMBL7055772 0.73 KIF11 (0.39) KIF11ALDH1A1
SCHEMBL31603306 0.72 KIF11 (0.41) KIF11CYP2C9CYP2C19ALOX15TSHR
SCHEMBL26699924 0.70 KIF11 (0.40) KIF11CYP2C9CYP2C19ALOX15TSHR
SCHEMBL25764027 0.70 KIF11 (0.43) KIF11CYP2C9CYP2C19ALOX15TSHR
SCHEMBL6241174 0.70 KIF11 (0.56) KIF11CYP2C9CYP2C19ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795463-B2 Process for preparing diisopropyl((1-(hydroxymethyl)-cyclopropyl)oxy)methylphosphonate LG LIFE SCIENCES LTD. (KR) 2010-09-14 US claimed
JP-4422183-B2 2010-02-24 JP claimed
US-20090187019-A1 Process for preparing diisopropyl((1-(hydroxymethyl)-cyclopropyl)oxy)methylphosphonate LG LIFE SCIENCE LTD. (KR) 2009-07-23 US claimed
EP-1765838-A4 PROCESS FOR PREPARING DI-ISOPROPYL ((1(HYDROXYMETHYL)-CYCLOPROPYL)OXY) METHYLPHOSPHONATE LG LIFE SCIENCES LTD (KR) 2009-05-27 EP claimed
JP-2008505066-A 2008-02-21 JP claimed
EP-1765838-A1 PROCESS FOR PREPARING DI-ISOPROPYL ((1(HYDROXYMETHYL)-CYCLOPROPYL)OXY) METHYLPHOSPHONATE LG Life Sciences Ltd. (KR) 2007-03-28 EP claimed
WO-2006004330-A1 PROCESS FOR PREPARING DI-ISOPROPYL ((1(HYDROXYMETHYL)-CYCLOPROPYL)OXY) METHYLPHOSPHONATE LG LIFE SCIENCES LTD. (KR) 2006-01-12 WO claimed
US-20100305364-A1 PROCESS FOR PREPARING DIISOPROPYL((1-(HYDROXYMETHYL)-CYCLOPROPYL)OXY)METHYLPHOSPHONATE YOON SUK-KYOON 2010-12-02 US disclosed
US-7795463-B2 Process for preparing diisopropyl((1-(hydroxymethyl)-cyclopropyl)oxy)methylphosphonate LG LIFE SCIENCES LTD. (KR) 2010-09-14 US disclosed
US-7795463-B2 Process for preparing diisopropyl((1-(hydroxymethyl)-cyclopropyl)oxy)methylphosphonate LG LIFE SCIENCES LTD. (KR) 2010-09-14 US disclosed
US-20090187019-A1 Process for preparing diisopropyl((1-(hydroxymethyl)-cyclopropyl)oxy)methylphosphonate LG LIFE SCIENCE LTD. (KR) 2009-07-23 US disclosed
EP-1765838-A4 PROCESS FOR PREPARING DI-ISOPROPYL ((1(HYDROXYMETHYL)-CYCLOPROPYL)OXY) METHYLPHOSPHONATE LG LIFE SCIENCES LTD (KR) 2009-05-27 EP disclosed
EP-1765838-A1 PROCESS FOR PREPARING DI-ISOPROPYL ((1(HYDROXYMETHYL)-CYCLOPROPYL)OXY) METHYLPHOSPHONATE LG Life Sciences Ltd. (KR) 2007-03-28 EP disclosed
WO-2006004330-A1 PROCESS FOR PREPARING DI-ISOPROPYL ((1(HYDROXYMETHYL)-CYCLOPROPYL)OXY) METHYLPHOSPHONATE LG LIFE SCIENCES LTD. (KR) 2006-01-12 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-20100305364-A1 PROCESS FOR PREPARING DIISOPROPYL((1-(HYDROXYMETHYL)-CYCLOPROPYL)OXY)METHYLPHOSPHONATE DHPS, ITPA, DCPS KIF11 3491/4885CYP2C9 159/4885CYP2C19 260/4885
US-20090187019-A1 Process for preparing diisopropyl((1-(hydroxymethyl)-cyclopropyl)oxy)methylphosphonate DHPS, ITPA, DCPS KIF11 3491/4885CYP2C9 159/4885CYP2C19 260/4885

“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.