SCHEMBL7093015

SCHEMBL7093015

COC(COC(=O)c1ccc(C)cc1)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.56
ADRB1 P08588 3/20 0.56
ADRB3 P13945 3/20 0.56
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ESR1 P03372 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ESR2 Q92731 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL28803505 0.93 MAPT (0.51) ADRB2ADRB1ADRB3TDP1MAPT
SCHEMBL31141339 0.86 MAPT (0.63) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL7091582 0.84 GAA (0.50) ADRB2ADRB1ADRB3RAB9AMAPT
SCHEMBL7093992 0.84 HPGD (0.49) ADRB2ADRB1ADRB3RAB9AMAPT
SCHEMBL5665246 0.84 ADRB2 (0.60) ADRB2ADRB1ADRB3RAB9AMAPT
SCHEMBL784821 0.84 ALDH1A1 (0.65) ADRB2ADRB1ADRB3TDP1RAB9A
SCHEMBL7094853 0.83 ADRB2 (0.54) ADRB2ADRB1ADRB3TDP1RAB9A
SCHEMBL11858429 0.83 SNCA (0.47) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL6057162 0.81 ADRB2 (0.64) ADRB2ADRB1ADRB3TDP1RAB9A
SCHEMBL9463876 0.81 ADRB2 (0.73) ADRB2ADRB1ADRB3TDP1RAB9A

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-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US claimed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 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-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS ADRB2 2550/4885ADRB1 2164/4885ADRB3 2653/4885

“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.