SCHEMBL8513205

SCHEMBL8513205

COc1cc(CC[C@@](N)(CO)CC(C)C)ccc1OCCC(C)CCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.43
S1PR1 P21453 3/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
SIGMAR1 Q99720 9/20 0.41
KCNH2 Q12809 7/20 0.41
TMEM97 Q5BJF2 7/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STAT3 P40763 1/20 0.36
ALOX5 P09917 1/20 0.36
PRSS1 P07477 1/20 0.36
PPARA Q07869 1/20 0.35

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
SCHEMBL8513211 1.00 MRGPRX1 (0.43) MRGPRX1S1PR1HDAC1HDAC2SIGMAR1
SCHEMBL8512034 0.97 S1PR1 (0.44) MRGPRX1S1PR1HDAC1HDAC2SIGMAR1
SCHEMBL8512029 0.97 S1PR1 (0.44) MRGPRX1S1PR1HDAC1HDAC2SIGMAR1
SCHEMBL8510924 0.96 S1PR1 (0.45) MRGPRX1S1PR1HDAC1HDAC2SIGMAR1
SCHEMBL8510917 0.96 S1PR1 (0.45) MRGPRX1S1PR1HDAC1HDAC2SIGMAR1
SCHEMBL8512598 0.92 S1PR1 (0.45) MRGPRX1S1PR1HDAC1HDAC2SIGMAR1
SCHEMBL8512600 0.92 S1PR1 (0.45) MRGPRX1S1PR1HDAC1HDAC2SIGMAR1
SCHEMBL8513823 0.92 S1PR1 (0.48) MRGPRX1S1PR1HDAC1HDAC2SIGMAR1
SCHEMBL8513830 0.92 S1PR1 (0.48) MRGPRX1S1PR1HDAC1HDAC2SIGMAR1
SCHEMBL8513772 0.91 S1PR1 (0.39) MRGPRX1S1PR1HDAC1HDAC2SIGMAR1

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 MRGPRX1 239/4885S1PR1 3/4885HDAC1 415/4885

“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.