SCHEMBL8514686

SCHEMBL8514686

COc1cc(CCC(N)(CO)CC2CCC2)ccc1OCCCCCCCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.45
KCNH2 Q12809 5/20 0.41
TMEM97 Q5BJF2 5/20 0.41
SIGMAR1 Q99720 5/20 0.41
MRGPRX1 Q96LB2 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PPARG P37231 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
PRSS1 P07477 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL8514233 1.00 S1PR1 (0.45) S1PR1KCNH2TMEM97SIGMAR1MRGPRX1
SCHEMBL8514677 1.00 S1PR1 (0.45) S1PR1KCNH2TMEM97SIGMAR1MRGPRX1
SCHEMBL8510324 0.99 S1PR1 (0.43) S1PR1KCNH2TMEM97SIGMAR1MRGPRX1
SCHEMBL8510320 0.99 S1PR1 (0.43) S1PR1KCNH2TMEM97SIGMAR1MRGPRX1
SCHEMBL8512139 0.96 S1PR1 (0.46) S1PR1KCNH2TMEM97SIGMAR1MRGPRX1
SCHEMBL8512058 0.96 S1PR1 (0.46) S1PR1KCNH2TMEM97SIGMAR1MRGPRX1
SCHEMBL8512063 0.96 S1PR1 (0.46) S1PR1KCNH2TMEM97SIGMAR1MRGPRX1
SCHEMBL8512144 0.96 S1PR1 (0.46) S1PR1KCNH2TMEM97SIGMAR1MRGPRX1
SCHEMBL8510069 0.96 S1PR1 (0.46) S1PR1KCNH2TMEM97SIGMAR1MRGPRX1
SCHEMBL8510062 0.96 S1PR1 (0.46) S1PR1KCNH2TMEM97SIGMAR1MRGPRX1

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 3/4885KCNH2 2092/4885TMEM97 2265/4885

“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.