SCHEMBL86944

SCHEMBL86944

COP(=O)(Cc1ccc(OCOCC[Si](C)(C)C)c(C(F)(F)F)c1)OC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
S1PR1 P21453 9/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
GSK3B P49841 2/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL79230 0.81 ALOX5AP (0.41) ALOX5APFEN1RXRARXRBRXRG
SCHEMBL81656 0.81 S1PR1 (0.44) ALOX5APFEN1RXRARXRBRXRG
SCHEMBL31692917 0.77 ALOX5AP (0.47) ALOX5APFEN1S1PR1PDE3BPDE3A
SCHEMBL22353060 0.77 S1PR1 (0.56) RXRARXRBRXRGS1PR1
SCHEMBL30349000 0.74 CCNT1 (0.36) ALOX5APFEN1S1PR1PDE3A
SCHEMBL28961384 0.74 CCNT1 (0.40) S1PR1
SCHEMBL31693045 0.73 ALOX5AP (0.42) ALOX5APFEN1RXRARXRBRXRG
SCHEMBL25612367 0.69 GAA (0.33) ALOX5APFEN1S1PR1PDE3A
SCHEMBL25612189 0.69 CALM1 (0.36) S1PR1
SCHEMBL30349123 0.69 MAPT (0.41)

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-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C ALOX5AP 603/4885FEN1 4069/4885RXRA 2753/4885

“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.