SCHEMBL1863534

SCHEMBL1863534

CCOP(=O)(OCC)C(O)CCCCBr

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARD Q03181 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMPD1 P17405 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 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
SCHEMBL9492034 0.85 FDPS (0.45) POLBL3MBTL1CYP3A4SMPD1
SCHEMBL4068245 0.83 SMPD1 (0.47) SMPD1
SCHEMBL17577640 0.81 FDPS (0.36) POLBTSHRTP53TDP1
SCHEMBL4459817 0.81 PPARD (0.42) POLBGAAL3MBTL1TSHRCYP3A4
SCHEMBL9652011 0.79 FDPS (0.38) POLBTSHRTP53TDP1
SCHEMBL2821620 0.78 POLB (0.44) POLBGAAL3MBTL1TSHRCYP3A4
SCHEMBL4453625 0.76 PPARD (0.45) POLBGAAL3MBTL1TSHRCYP3A4
SCHEMBL17576905 0.75 FDPS (0.32) POLBTSHR
SCHEMBL15981052 0.75 TSHR (0.37) POLBTSHRTP53TDP1
SCHEMBL20558035 0.73 POLB (0.47) POLBGAAL3MBTL1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102639153-B Treating water insoluble nanoparticles with hydrophilic alpha-hydroxyphosphonic acid conjugates, the so modified nanoparticles and their use as contrast agents 通用电气公司 2017-02-22 CN disclosed
US-9205155-B2 Treating water insoluble nanoparticles with hydrophilic alpha-hydroxyphosphonic acid conjugates, the so modified nanoparticles and their use as contrast agents GENERAL ELECTRIC COMPANY (US) 2015-12-08 US disclosed
WO-2011051422-A2 TREATING WATER INSOLUBLE NANOPARTICLES WITH HYDROPHILIC ALPHA-HYDROXYPHOSPHONIC ACID CONJUGATES, THE SO MODIFIED NANOPARTICLES AND THEIR USE AS CONTRAST AGENTS GENERAL ELECTRIC COMPANY (US) 2011-05-05 WO disclosed
US-20110104072-A1 TREATING WATER INSOLUBLE NANOPARTICLES WITH HYDROPHILIC ALPHA-HYDROXYPHOSPHONIC ACID CONJUGATES, THE SO MODIFIED NANOPARTICLES AND THEIR USE AS CONTRAST AGENTS GENERAL ELECTRIC COMPANY (US) 2011-05-05 US 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-20110104072-A1 TREATING WATER INSOLUBLE NANOPARTICLES WITH HYDROPHILIC ALPHA-HYDROXYPHOSPHONIC ACID CONJUGATES, THE SO MODIFIED NANOPARTICLES AND THEIR USE AS CONTRAST AGENTS HAMP, SLC46A1, CD44 POLB 2852/4885GAA 335/4885L3MBTL1 4282/4885

“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.