SCHEMBL7090359

SCHEMBL7090359

O=C(OCC(OCc1ccccc1)OCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
KMT2A Q03164 4/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 5/20 0.47
POLB P06746 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 6/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 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 0.90 KMT2A (0.66) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL5665304 0.86 MAPT (0.54) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL5663936 0.86 KMT2A (0.53) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL5662716 0.85 TDP1 (0.49) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL7089906 0.83 NPC1 (0.56) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL2705832 0.83 KMT2A (0.76) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL1446745 0.83 KMT2A (0.57) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL10611772 0.82 KMT2A (0.73) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL7094597 0.81 KMT2A (0.59) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL5665943 0.80 ADRB2 (0.50) KMT2ASLC6A2SLC6A3TDP1LMNA

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 RAB9A 3285/4885NPC1 4055/4885KMT2A 624/4885

“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.