SCHEMBL16697104

SCHEMBL16697104

CCCCCC(CC)N(C(=O)CP(=O)(O)O)C(CC)CCCCC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.47
LAP3 P28838 2/20 0.44
S1PR2 O95136 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR4 O95977 4/20 0.40
SMPD1 P17405 3/20 0.39
LPAR3 Q9UBY5 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37

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
SCHEMBL16697323 0.83 FDPS (0.36) FDPSLAP3SMPD1LPAR3
SCHEMBL16696821 0.80 CYP3A4 (0.37) FDPSLAP3SMPD1LPAR3LPAR2
SCHEMBL13515110 0.79 FFAR4 (0.47)
SCHEMBL16697383 0.78 FDPS (0.47) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL16697394 0.77 FAAH (0.38)
SCHEMBL15282992 0.74 GPR84 (0.41) FDPS
SCHEMBL17363778 0.74 GPR84 (0.47)
SCHEMBL16697224 0.74 PPARD (0.39) FDPSS1PR2S1PR1S1PR3S1PR4
SCHEMBL20164796 0.74 FDPS (0.45) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL9164732 0.74 FDPS (0.52) FDPSLAP3S1PR2S1PR1S1PR3

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-9441285-B2 Bifunctional compounds useful as ligands of uranium (VI), methods of synthesising same and uses thereof AREVA MINES (FR) 2016-09-13 US disclosed
US-20150133688-A1 BIFUNCTIONAL COMPOUNDS USEFUL AS LIGANDS OF URANIUM (VI), METHODS OF SYNTHESISING SAME AND USES THEREOF AREVA MINES (FR) 2015-05-14 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-20150133688-A1 BIFUNCTIONAL COMPOUNDS USEFUL AS LIGANDS OF URANIUM (VI), METHODS OF SYNTHESISING SAME AND USES THEREOF URB2, CHRM2, C1S FDPS 2645/4885LAP3 2240/4885S1PR2 1046/4885

“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.