SCHEMBL7092852

SCHEMBL7092852

CC(C)(C)COC(COC(=O)c1ccc(Br)cc1)OCC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ADRB2 P07550 9/20 0.42
ADRB1 P08588 9/20 0.42
ADRB3 P13945 9/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
NHERF1 O14745 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL5665673 0.87 ADRB2 (0.54) NPC1RAB9AMAPTALDH1A1ADRB2
SCHEMBL7089522 0.85 GAA (0.44) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL5662710 0.85 ALDH1A1 (0.56) NPC1RAB9AMAPTALDH1A1ADRB2
SCHEMBL7090345 0.84 ADRB2 (0.56) NPC1RAB9AMAPTALDH1A1ADRB2
SCHEMBL5663941 0.83 MAPK1 (0.50) HPGDNPC1RAB9AKDM4EMAPT
SCHEMBL5663225 0.83 NHERF1 (0.48) HPGDNPC1RAB9AKDM4EMAPT
SCHEMBL7089243 0.81 ADRB2 (0.60) KDM4EMAPTALDH1A1ADRB2ADRB1
SCHEMBL7093992 0.80 HPGD (0.49) HPGDNPC1RAB9AKDM4EMAPT
SCHEMBL5664162 0.77 ALDH1A1 (0.46) HPGDNPC1RAB9AMAPTALDH1A1
SCHEMBL5663769 0.76 ADRB2 (0.58) NPC1RAB9AKDM4EALDH1A1ADRB2

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 HPGD 609/4885NPC1 4055/4885RAB9A 3285/4885

“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.