SCHEMBL8510941

SCHEMBL8510941

COc1cc(CCC(N)(CO)CC2CC2)ccc1OCC(C)CCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.37
TMEM97 Q5BJF2 5/20 0.37
SIGMAR1 Q99720 5/20 0.37
S1PR1 P21453 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
S1PR3 Q99500 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
STAT3 P40763 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8510937 1.00 KCNH2 (0.37) KCNH2TMEM97SIGMAR1S1PR1MRGPRX1
SCHEMBL8514028 0.96 MEN1 (0.37) KCNH2TMEM97SIGMAR1S1PR1MRGPRX1
SCHEMBL8514032 0.96 MEN1 (0.37) KCNH2TMEM97SIGMAR1S1PR1MRGPRX1
SCHEMBL8513967 0.93 SIGMAR1 (0.41) KCNH2TMEM97SIGMAR1S1PR1MRGPRX1
SCHEMBL8513961 0.93 SIGMAR1 (0.41) KCNH2TMEM97SIGMAR1S1PR1MRGPRX1
SCHEMBL8511081 0.92 S1PR1 (0.42) KCNH2TMEM97SIGMAR1S1PR1MRGPRX1
SCHEMBL8512074 0.92 MRGPRX1 (0.40) KCNH2TMEM97SIGMAR1S1PR1MRGPRX1
SCHEMBL8512069 0.92 MRGPRX1 (0.40) KCNH2TMEM97SIGMAR1S1PR1MRGPRX1
SCHEMBL8511085 0.92 S1PR1 (0.42) KCNH2TMEM97SIGMAR1S1PR1MRGPRX1
SCHEMBL8514211 0.90 S1PR1 (0.37) KCNH2TMEM97SIGMAR1S1PR1CYP3A4

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 KCNH2 2092/4885TMEM97 2265/4885SIGMAR1 1850/4885

“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.