SCHEMBL16697224

SCHEMBL16697224

CCCCCC(CC)N(C(=O)CCP(=O)(OCC)OCC)C(CC)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
FDPS P14324 4/20 0.34
SMPD1 P17405 3/20 0.34
PLA2G4A P47712 1/20 0.33
S1PR2 O95136 4/20 0.33
S1PR1 P21453 4/20 0.33
S1PR3 Q99500 4/20 0.33
S1PR4 O95977 3/20 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
SCHEMBL16697914 0.93 PPARD (0.38) PPARDFDPSSMPD1
SCHEMBL16697323 0.85 FDPS (0.36) PPARDFDPSSMPD1
SCHEMBL13515110 0.80 FFAR4 (0.47)
SCHEMBL16696821 0.77 CYP3A4 (0.37) FDPSSMPD1
SCHEMBL16697204 0.74 FDPS (0.34) FDPSSMPD1
SCHEMBL16697104 0.74 FDPS (0.47) FDPSSMPD1S1PR2S1PR1S1PR3
SCHEMBL16696995 0.73 SMPD1 (0.36) FDPSSMPD1PLA2G4A
SCHEMBL16696792 0.73 FDPS (0.33) FDPSSMPD1
SCHEMBL7157784 0.73 PLA2G1B (0.39)
SCHEMBL2819799 0.73 PPARD (0.39) PPARDFDPSSMPD1S1PR2S1PR1

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 PPARD 2472/4885FDPS 2645/4885SMPD1 4274/4885

“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.