SCHEMBL8743017

SCHEMBL8743017

CC(C)CC1(C)OCC(COCC2COC(C)(CC(C)C)O2)O1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL15955988 0.82 CTDSP1 (0.37) CA2CTDSP1
SCHEMBL15955749 0.81 CTDSP1 (0.36) CA2CTDSP1
SCHEMBL17854784 0.81 CTDSP1 (0.35) CA2LMNACTDSP1
SCHEMBL1411292 0.80 MEN1 (0.31) MEN1LMNAKMT2ACTDSP1CHRM2
SCHEMBL28544297 0.80 MEN1 (0.31) CA2MEN1LMNAKMT2ACHRM2
SCHEMBL9598615 0.80 MEN1 (0.31) MEN1LMNAKMT2ACTDSP1CHRM2
SCHEMBL9597774 0.80 MEN1 (0.31) MEN1LMNAKMT2ACTDSP1CHRM2
SCHEMBL15955777 0.79 CTDSP1 (0.38) CA2CTDSP1
SCHEMBL15956025 0.79 CTDSP1 (0.40) CA2CTDSP1
SCHEMBL14457875 0.78 CA2 (0.38) CA2TSHRMAPK1MEN1LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9020772-A None JP disclosed
US-20150291567-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS GFBIOCHEMICALS LIMITED (MT) 2015-10-15 US disclosed
US-20150291567-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS GFBIOCHEMICALS LIMITED (MT) 2015-10-15 US disclosed
US-20140135455-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2014-05-15 US disclosed
US-20140135455-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2014-05-15 US disclosed
US-8653223-B2 Transketalized compositions, synthesis, and applications SEGETIS, INC. (US) 2014-02-18 US disclosed
US-8653223-B2 Transketalized compositions, synthesis, and applications SEGETIS, INC. (US) 2014-02-18 US disclosed
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2011-04-07 US disclosed
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2011-04-07 US disclosed
WO-2009146202-A2 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2009-12-03 WO disclosed
JP-H0920772-A CYCLIC ACETAL AND ITS PRODUCTION KAO CORP 1997-01-21 JP 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 (3 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-20140135455-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 CA2 3989/4885TSHR 4819/4885MAPK1 4036/4885
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 CA2 3989/4885TSHR 4819/4885MAPK1 4036/4885
US-20150291567-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 CA2 3989/4885TSHR 4819/4885MAPK1 4036/4885

“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.