SCHEMBL7089906

SCHEMBL7089906

COc1ccc(C(=O)OCC(OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
TBXAS1 P24557 2/20 0.53
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
LMNA P02545 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PLAU P00749 1/20 0.48
ELANE P08246 1/20 0.48
ALDH1A1 P00352 2/20 0.48
ESR2 Q92731 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.47
CES2 O00748 1/20 0.46

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
SCHEMBL5665910 0.87 KMT2A (0.66) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL5665304 0.86 MAPT (0.54) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL5663461 0.86 KMT2A (0.53) NPC1RAB9ASLC6A2SLC6A3KMT2A
SCHEMBL2704247 0.84 KMT2A (0.71) NPC1RAB9ATBXAS1LMNASLC6A2
SCHEMBL5663936 0.83 KMT2A (0.53) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL7090359 0.83 RAB9A (0.54) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL1446745 0.83 KMT2A (0.57) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL1930664 0.81 ADRB2 (0.56) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL5665246 0.79 ADRB2 (0.60) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL7094597 0.79 KMT2A (0.59) NPC1RAB9AADRB2ADRB1ADRB3

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 NPC1 4055/4885RAB9A 3285/4885TBXAS1 565/4885

“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.