SCHEMBL2871014

SCHEMBL2871014

CCCOc1ccc(CP(=O)(O)O)cc1Cc1ccc(CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.41
S1PR2 O95136 7/20 0.39
S1PR1 P21453 7/20 0.39
S1PR3 Q99500 7/20 0.39
LPAR2 Q9HBW0 7/20 0.39
ENPP2 Q13822 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRA P10827 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKT1 P31749 1/20 0.37
THRB P10828 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PPARG P37231 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL2865175 0.91 TLR7 (0.38) TLR7S1PR2S1PR1S1PR3LPAR2
SCHEMBL2860898 0.89 TLR7 (0.40) TLR7S1PR2S1PR1S1PR3LPAR2
SCHEMBL28765324 0.85 TLR7 (0.50) TLR7S1PR2S1PR1S1PR3LPAR2
SCHEMBL2868556 0.84 ALPG (0.44) SMN1; SMN2
SCHEMBL2871063 0.82 TLR7 (0.39) TLR7ENPP2SMN1; SMN2THRAAKT1
SCHEMBL2872112 0.80 ESR1 (0.42) TLR7S1PR2S1PR1S1PR3LPAR2
SCHEMBL2868462 0.79 CSNK2A1 (0.44) SMN1; SMN2THRAL3MBTL1AKT1THRB
SCHEMBL2869183 0.77 THRA (0.47) ENPP2SMN1; SMN2THRATHRBCYP2C19
SCHEMBL2864769 0.76 SLC5A2 (0.45) ENPP2SMN1; SMN2CYP2C19
SCHEMBL2864893 0.74 SLC5A1 (0.46) TLR7S1PR2S1PR1S1PR3LPAR2

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-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 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-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R TLR7 2560/4885S1PR2 638/4885S1PR1 457/4885

“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.