SCHEMBL4849689

SCHEMBL4849689

[CH2]CCC(=O)OCCOCCOCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
THRB P10828 1/20 0.50
DGKA P23743 1/20 0.44
EPHX2 P34913 3/20 0.42
HSD17B10 Q99714 2/20 0.41
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
CYP1A2 P05177 1/20 0.35
DNM1 Q05193 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL4856120 0.98 ALDH1A1 (0.54) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL3879046 0.87 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL2303872 0.87 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL8894134 0.86 DGKA (0.52) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL1301905 0.85 ALDH1A1 (0.62) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL4854701 0.84 DGKA (0.39) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL4848165 0.83 ALDH1A1 (0.56) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL17998753 0.83 DGKA (0.63) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL4250044 0.83 DGKA (0.63) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL181434 0.83 ALDH1A1 (0.56) ALDH1A1TSHRTHRBDGKAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329694-B2 Ocular lens JOHNSON & JOHNSON VISION CARE, INC. (US) 2008-02-12 US disclosed
EP-1445641-B1 OCULAR LENS JOHNSON & JOHNSON VISION CARE (US) 2007-10-03 EP disclosed
US-20040201820-A1 Ocular lens JOHNSON & JOHNSON VISION CARE, INC. 2004-10-14 US disclosed
US-20040198938-A1 Monomers, polymers and ophthalmic lenses JOHNSON & JOHNSON VISION CARE, INC. 2004-10-07 US disclosed
EP-1445641-A1 OCULAR LENS Johnson & Johnson Vision Care, Inc. (US) 2004-08-11 EP disclosed
EP-1424339-A1 MONOMERS, POLYMERS AND OPHTHALMIC LENSES Johson & Johnson Vision Care Inc. (US) 2004-06-02 EP 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-20040198938-A1 Monomers, polymers and ophthalmic lenses LOXL1, CRYAA, UACA ALDH1A1 1939/4885TSHR 4300/4885THRB 3917/4885

“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.