SCHEMBL7090148

SCHEMBL7090148

O=CCOC(=O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 4/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
GSK3B P49841 2/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
NHERF1 O14745 1/20 0.43
OGG1 O15527 1/20 0.42

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
SCHEMBL6272290 0.90 ESR1 (0.47) LMNAALDH1A1KMT2AMEN1
SCHEMBL4433115 0.83 SNCA (0.58) HPGDNPC1RAB9AKDM4ELMNA
SCHEMBL9296377 0.82 MAPT (0.50) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL5663821 0.81 TRPV1 (0.56) HPGDNPC1RAB9ALMNAMAPT
SCHEMBL5665705 0.81 GAA (0.50) NPC1RAB9AKDM4ELMNAMAPT
Benzene SCHEMBL27370347 0.80 HPGD (0.57) HPGDNPC1RAB9AKDM4ELMNA
SCHEMBL27592817 0.80 HPGD (0.49) HPGDNPC1RAB9AKDM4ELMNA
SCHEMBL1030901 0.80 TDP1 (0.59) HPGDNPC1RAB9AKDM4ELMNA
SCHEMBL12148891 0.79 TSHR (0.44) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL9063776 0.79 SNCA (0.54) HPGDNPC1RAB9AKDM4ELMNA

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.