SCHEMBL3365888

SCHEMBL3365888

CCCCCC(N)COC(=O)OCC(N)CCCCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR4 O95977 4/20 0.46
ZDHHC7 Q9NXF8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LAP3 P28838 2/20 0.42
TP53 P04637 1/20 0.42
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
OPRM1 P35372 1/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
GPR84 Q9NQS5 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39

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
SCHEMBL7103472 0.86 ALDH1A1 (0.47) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL27617597 0.83 MAPT (0.46) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL15954723 0.82 S1PR2 (0.45) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL27879714 0.82 S1PR2 (0.45) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL1736123 0.82 S1PR2 (0.45) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL9845854 0.80 TSHR (0.54) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL27860089 0.80 S1PR2 (0.40) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL27795491 0.80 CA1 (0.44) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL11332448 0.79 MAPT (0.58) ALDH1A1
SCHEMBL22230486 0.79 S1PR2 (0.42) S1PR2S1PR1S1PR3S1PR4ZDHHC7

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-20100041622-A1 Compositions containing aminoalkanes and aminoalkane derivatives VIRUN, INC. 2010-02-18 US disclosed
WO-2010019255-A1 COMPOSITIONS CONTAINING AMINOALKANES AND AMINOALKANE DERIVATIVES VIRUN, INC. (US) 2010-02-18 WO 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-20100041622-A1 Compositions containing aminoalkanes and aminoalkane derivatives TAAR5, PDE3A, PDE2A S1PR2 681/4885S1PR1 688/4885S1PR3 395/4885

“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.