SCHEMBL2961043

SCHEMBL2961043

C=CCCCCCCCCCP(=O)(OCC)C(CCCCC)P(=O)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
FDPS P14324 4/20 0.37
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
S1PR2 O95136 5/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 5/20 0.33
S1PR4 O95977 4/20 0.33
ALDH1A1 P00352 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
SCHEMBL13239578 0.92 TSHR (0.40) TSHRFDPSLPAR3LPAR2S1PR2
SCHEMBL2961044 0.81 FDPS (0.37) TSHRFDPSLPAR3LPAR2S1PR2
SCHEMBL2963056 0.75 TSHR (0.41) TSHRFDPSLPAR3LPAR2ALDH1A1
SCHEMBL2952200 0.74 LPAR2 (0.35) TSHRLPAR3LPAR2
SCHEMBL13239580 0.72 FDPS (0.57) TSHRFDPSLPAR3LPAR2S1PR2
Diethyl Hydrogen Phosphate SCHEMBL28293408 0.70 TSHR (0.57) TSHRLPAR3LPAR2ALDH1A1
SCHEMBL8993904 0.70 LPAR3 (0.47) TSHRLPAR3LPAR2ALDH1A1
SCHEMBL9701750 0.70 LPAR3 (0.47) TSHRLPAR3LPAR2ALDH1A1
SCHEMBL2955740 0.70 LPAR3 (0.47) TSHRLPAR3LPAR2ALDH1A1
SCHEMBL13334729 0.69 FDPS (0.52) TSHRFDPS

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-7754200-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2010-07-13 US disclosed
US-20060280719-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2006-12-14 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-20060280719-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC43A1 TSHR 76/4885FDPS 1734/4885LPAR3 1651/4885

“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.