SCHEMBL8514218

SCHEMBL8514218

CC(C)CCCC(C)COc1ccc(CCC(N)(CO)CC2CC2)cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.37
S1PR3 Q99500 6/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
S1PR4 O95977 2/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR2 O95136 1/20 0.32
TNNC1 P63316 5/20 0.32
SGPL1 O95470 1/20 0.32
GPR183 P32249 1/20 0.32
CERS2 Q96G23 1/20 0.32
SPHK2 Q9NRA0 2/20 0.31
SPHK1 Q9NYA1 1/20 0.31
ALOX15 P16050 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
SCHEMBL8514211 1.00 S1PR1 (0.37) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL8513780 0.96 S1PR1 (0.36) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL8513784 0.96 S1PR1 (0.36) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL8514806 0.93 S1PR1 (0.41) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL8514803 0.93 S1PR1 (0.41) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL8513200 0.92 S1PR1 (0.41) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL8510160 0.92 S1PR1 (0.43) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL8510159 0.92 S1PR1 (0.43) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL8513193 0.92 S1PR1 (0.41) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL8510937 0.90 KCNH2 (0.37) S1PR1S1PR3CYP3A4CYP2C8CYP2D6

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-8309768-B2 FTY720-derived anticancer agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-11-13 US disclosed
US-20120136063-A1 FTY720-DERIVED ANTICANCER AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-31 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-20120136063-A1 FTY720-DERIVED ANTICANCER AGENTS SPHK2, S1PR2, S1PR1 S1PR1 3/4885S1PR3 5/4885CYP3A4 4354/4885

“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.