SCHEMBL5664657

SCHEMBL5664657

CCOP(=O)(OCC)C(c1ccc(O)cc1)P(=O)(OCC)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
GAA P10253 2/20 0.49
ESR1 P03372 4/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 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
SCHEMBL9004471 0.85 POLB (0.50) POLBGAALMNAMAPTL3MBTL1
SCHEMBL7088667 0.83 CA12 (0.49) POLBGAALMNAMAPTL3MBTL1
SCHEMBL5754677 0.81 KMT2A (0.55) POLBGAALMNAMAPTL3MBTL1
SCHEMBL7160912 0.81 POLB (0.68) POLBLMNAMAPTALOX15ALDH1A1
SCHEMBL5665343 0.81 POLB (0.46) POLBGAAESR1LMNAMAPT
SCHEMBL9004470 0.81 POLB (0.46) POLBGAALMNAMAPTL3MBTL1
SCHEMBL7828967 0.79 POLB (0.44) POLBGAALMNAMAPTL3MBTL1
SCHEMBL14029225 0.79 KDM4E (0.44) POLBGAALMNAMAPTL3MBTL1
SCHEMBL5664826 0.78 POLB (0.44) POLBGAAESR1LMNAMAPT
SCHEMBL9004484 0.77 POLB (0.43) POLBGAALMNAMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US disclosed
US-20060205692-A1 1,1-and 1,2-Bisphosphonates as apoliprotein e modulators MONTES IMBER F 2006-09-14 US disclosed
EP-1506208-A4 1,1- AND 1,2-BISPHOSPHONATES AS APOLIPOPROTEIN E MODULATORS ILEX PRODUCTS INC (US) 2006-05-24 EP disclosed
EP-1506208-A2 1,1- AND 1,2-BISPHOSPHONATES AS APOLIPOPROTEIN E MODULATORS Ilex Products, Inc. (US) 2005-02-16 EP disclosed
WO-2003094851-A2 1,1- AND 1,2-BISPHOSPHONATES AS APOLIPROTEIN E MODULATORS ILEX PRODUCTS, INC. (US) 2003-11-20 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-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS POLB 237/4885GAA 1879/4885ESR1 4466/4885
US-20060205692-A1 1,1-and 1,2-Bisphosphonates as apoliprotein e modulators APOB, APOL1, HDLBP POLB 2990/4885GAA 1324/4885ESR1 1121/4885

“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.