SCHEMBL7093992

SCHEMBL7093992

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 5/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
NHERF1 O14745 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 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
SCHEMBL28803505 0.91 MAPT (0.51) MAPTALDH1A1LMNAADRB2ADRB1
SCHEMBL7093015 0.84 ADRB2 (0.56) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL31141339 0.84 MAPT (0.63) MAPTALDH1A1KMT2AADRB2ADRB1
SCHEMBL5663225 0.83 NHERF1 (0.48) HPGDRAB9ANPC1MAPTKDM4E
SCHEMBL7091582 0.83 GAA (0.50) HPGDRAB9ANPC1MAPTALDH1A1
SCHEMBL5665246 0.83 ADRB2 (0.60) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL784821 0.82 ALDH1A1 (0.65) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL9679247 0.82 ALDH1A1 (0.55) HPGDRAB9ANPC1MAPTKDM4E
SCHEMBL11858429 0.81 SNCA (0.47) NPC1MAPTALDH1A1LMNAADRB2
SCHEMBL7092734 0.81 MAPK1 (0.56) HPGDRAB9ANPC1MAPTKDM4E

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 609/4885RAB9A 3285/4885NPC1 4055/4885

“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.