SCHEMBL2748826

SCHEMBL2748826

CCC(=O)OCOc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 3/20 0.67
ACHE P22303 3/20 0.65
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HPGD P15428 4/20 0.64
NFKB1 P19838 3/20 0.64
NFKB2 Q00653 3/20 0.64
RELA Q04206 3/20 0.64
TP53 P04637 3/20 0.64
MAPT P10636 3/20 0.64
TSHR P16473 2/20 0.64
ATM Q13315 1/20 0.64
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
MAOA P21397 3/20 0.60

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
SCHEMBL31595515 0.87 ALDH2 (0.76) ALDH2ACHENPC1RAB9ASMN1; SMN2
SCHEMBL14107144 0.87 ALDH2 (0.75) ALDH2ACHENPC1RAB9ASMN1; SMN2
SCHEMBL7571857 0.87 ALDH2 (0.65) ALDH2ACHENPC1RAB9ASMN1; SMN2
SCHEMBL16460017 0.84 ALDH2 (0.71) ALDH2ACHENPC1RAB9ASMN1; SMN2
SCHEMBL16458925 0.83 ALDH2 (0.73) ALDH2ACHENPC1RAB9ASMN1; SMN2
SCHEMBL2750470 0.83 ALDH2 (0.71) ALDH2ACHENPC1RAB9ASMN1; SMN2
SCHEMBL16473745 0.82 ACHE (0.77) ALDH2ACHENPC1RAB9ASMN1; SMN2
SCHEMBL31595457 0.82 ALDH2 (0.64) ALDH2ACHENPC1RAB9ASMN1; SMN2
SCHEMBL18949838 0.82 NPC1 (0.73) ALDH2ACHENPC1RAB9ASMN1; SMN2
SCHEMBL2750555 0.82 ALDH2 (0.64) ALDH2ACHENPC1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623910-B2 Isoflavones for treating mucopolysaccharidoses INSTYTUT FARMACEUTYCZNY (PL) 2014-01-07 US claimed
US-8178609-B2 Isoflavones for treating mucopolysaccharidoses INSTYTUT FARMACEUTYCZNY (PL) 2012-05-15 US claimed
US-8178609-B2 Isoflavones for treating mucopolysaccharidoses INSTYTUT FARMACEUTYCZNY (PL) 2012-05-15 US disclosed
US-20090062380-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES INSTYTUT FARMACEUTYCZNY (PL) 2009-03-05 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-20090062380-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES GAA, IDUA, MAN2B1 ALDH2 3018/4885ACHE 3370/4885NPC1 107/4885

“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.