SCHEMBL8514910

SCHEMBL8514910

CC(C)CCCC(C)COc1ccc(CC[C@@](N)(CO)CC(C)C)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.40
TNNC1 P63316 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR4 O95977 2/20 0.35
S1PR5 Q9H228 2/20 0.35
SGPL1 O95470 1/20 0.35
GPR183 P32249 1/20 0.35
CERS2 Q96G23 1/20 0.35
S1PR2 O95136 1/20 0.35
SPHK2 Q9NRA0 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 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
SCHEMBL8514921 1.00 S1PR1 (0.40) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8510394 0.92 S1PR1 (0.44) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8510397 0.92 S1PR1 (0.44) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8512090 0.91 S1PR1 (0.44) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8512084 0.91 S1PR1 (0.44) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8513520 0.91 S1PR1 (0.46) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8510815 0.91 S1PR1 (0.44) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8510811 0.91 S1PR1 (0.44) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8513513 0.91 S1PR1 (0.46) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8513772 0.89 S1PR1 (0.39) S1PR1TNNC1S1PR3S1PR4S1PR5

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 3/4885TNNC1 4860/4885S1PR3 5/4885

“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.