SCHEMBL16459744

SCHEMBL16459744

CC(=O)OCCCCCOc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.70
ALDH2 P05091 4/20 0.64
MEN1 O00255 2/20 0.60
NPC1 O15118 2/20 0.60
NFKB1 P19838 2/20 0.60
RAB9A P51151 2/20 0.60
NFKB2 Q00653 2/20 0.60
KMT2A Q03164 2/20 0.60
RELA Q04206 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
ATM Q13315 1/20 0.60
BCHE P06276 1/20 0.60
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL16473745 0.88 ACHE (0.77) ACHEALDH2MEN1NPC1NFKB1
SCHEMBL16458944 0.86 ACHE (0.73) ACHEALDH2MEN1NPC1NFKB1
SCHEMBL16458925 0.85 ALDH2 (0.73) ACHEALDH2MEN1NPC1NFKB1
SCHEMBL12500900 0.82 ACHE (1.00) ACHEBCHE
7-Acetoxy-4',5-Dihydroxygenistein SCHEMBL10001910 0.82 ALDH2 (0.75) ACHEALDH2MEN1NPC1NFKB1
SCHEMBL14107144 0.82 ALDH2 (0.75) ACHEALDH2MEN1NPC1NFKB1
SCHEMBL2748826 0.82 ALDH2 (0.67) ACHEALDH2MEN1NPC1NFKB1
SCHEMBL29949023 0.81 ACHE (0.56) ACHEALDH2MEN1NPC1NFKB1
SCHEMBL13911065 0.80 ACHE (0.69) ACHEALDH2MEN1NPC1NFKB1
SCHEMBL31595515 0.80 ALDH2 (0.76) ACHEALDH2MEN1NPC1NFKB1

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-20140107051-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES INSTYTUT FARMACEUTYCZNY (PL) 2014-04-17 US disclosed
US-20140107051-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES INSTYTUT FARMACEUTYCZNY (PL) 2014-04-17 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-20140107051-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES GAA, MAN2B1, IDUA ACHE 3702/4885ALDH2 3383/4885MEN1 1704/4885

“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.