SCHEMBL7092734

SCHEMBL7092734

COC(COC(=O)c1cccc(Br)c1)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
PARP1 P09874 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 3/20 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
SCHEMBL5663951 0.87 MAPK1 (0.55) MAPK1KDM4ELMNATSHRPARP1
SCHEMBL3389039 0.84 MAPK1 (0.58) MAPK1KDM4ELMNATSHRPARP1
SCHEMBL5663960 0.83 ADRB2 (0.59) KDM4ETSHRPARP1RXFP1NPC1
SCHEMBL9463857 0.83 MAPK1 (0.56) MAPK1KDM4ELMNATSHRPARP1
SCHEMBL5663941 0.82 MAPK1 (0.50) MAPK1KDM4ELMNATSHRRXFP1
SCHEMBL5664068 0.82 SMN1; SMN2 (0.56) TSHRPARP1MEN1NPC1ALDH1A1
SCHEMBL5666373 0.82 CHRM2 (0.52) KDM4EPARP1MEN1NPC1ALDH1A1
SCHEMBL7093992 0.81 HPGD (0.49) MAPK1KDM4ELMNARXFP1MEN1
SCHEMBL245137 0.80 KDM4E (0.65) MAPK1KDM4ELMNATSHRRXFP1
SCHEMBL784821 0.80 ALDH1A1 (0.65) MAPK1KDM4ELMNATSHRMEN1

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 MAPK1 3371/4885KDM4E 1415/4885LMNA 2068/4885

“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.