SCHEMBL6016751

SCHEMBL6016751

CC(C)OP(=O)(OC(C)C)C(CC(=O)O)P(=O)(OC(C)C)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 10/20 0.39
POLB P06746 1/20 0.39
CTSA P10619 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL17357044 0.79 HMGCR (0.37) HMGCRPOLBCTSAACHE
SCHEMBL17359393 0.79 HMGCR (0.37) HMGCRPOLBCTSAACHEKDM4E
SCHEMBL5324634 0.79 GABRP (0.43) HMGCRPOLB
SCHEMBL5327876 0.78 FOLH1 (0.42) HMGCRPOLBCTSAACHESLC22A6
SCHEMBL14796398 0.77 LMNA (0.37) SLC22A6TDP1
SCHEMBL8385734 0.76 ALDH1A1 (0.44) SLC22A6TDP1
SCHEMBL8382256 0.76 ALDH1A1 (0.42) HMGCRPOLBCTSAACHETDP1
SCHEMBL10880225 0.75 POLB (0.35) POLBCTSAACHEKDM4E
SCHEMBL7990050 0.75 CYP2D6 (0.38) HMGCRPOLBCTSAACHEKDM4E
SCHEMBL3313487 0.74 POLB (0.43) HMGCRPOLBTDP1

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
EP-1239886-B1 LABELLED ASCORBIC ACID DERIVATIVES GE HEALTHCARE LTD (GB) 2006-11-29 EP disclosed
US-6749832-B2 DIAGNOSIS, PROGNOSIS AND RADIOTHERAPY OF METASTATIC BONE DISEASE; SUCH AS TAGGED 5-(2-AMINO-1-HYDROXYETHYL)-3,4-DIBENZYLOXY-5H-FURAN-2-ONE AMERSHAM PLC (GB) 2004-06-15 US disclosed
US-20030153736-A1 Labelled ascorbic acid derivatives GE HEALTHCARE LIMITED (GB) 2003-08-14 US disclosed
EP-1239886-A2 LABELLED ASCORBIC ACID DERIVATIVES GE Healthcare Limited (GB) 2002-09-18 EP disclosed
WO-2001047564-A2 LABELLED ASCORBIC ACID DERIVATIVES AMERSHAM PLC (GB) 2001-07-05 WO disclosed
US-5962438-A OSTEOPOROSIS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-10-05 US disclosed
EP-0827951-A1 NOVEL BONE-SEEKING ESTROGEN DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-03-11 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-20030153736-A1 Labelled ascorbic acid derivatives CYP27B1, CYP24A1, XDH HMGCR 240/4885POLB 2675/4885CTSA 947/4885

“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.