SCHEMBL11940752

SCHEMBL11940752

CCCCC(=O)Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 5/20 0.65
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
HPGD P15428 4/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
TP53 P04637 3/20 0.61
MAPT P10636 3/20 0.61
TSHR P16473 2/20 0.61
ATM Q13315 1/20 0.61
ACHE P22303 3/20 0.60
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
MAOA P21397 3/20 0.58

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
SCHEMBL2751806 0.96 ALDH2 (0.62) ALDH2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL26145338 0.93 NPC1 (0.71) ALDH2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL26848473 0.90 ALDH2 (0.63) ALDH2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2750320 0.89 ALDH2 (0.61) ALDH2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7565641 0.87 MEN1 (0.63) ALDH2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30380086 0.85 KDM4E (0.61) ALDH2NPC1RAB9ASMN1; SMN2MEN1
7-Acetoxy-4',5-Dihydroxygenistein SCHEMBL10001910 0.83 ALDH2 (0.75) ALDH2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13911077 0.83 ALDH2 (0.65) ALDH2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL16473745 0.83 ACHE (0.77) ALDH2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL26145321 0.82 KDM4E (0.69) ALDH2NPC1RAB9ASMN1; SMN2MEN1

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 3 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-8623910-B2 Isoflavones for treating mucopolysaccharidoses INSTYTUT FARMACEUTYCZNY (PL) 2014-01-07 US disclosed
US-20120190642-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES INSTYTUT FARMACEUTYCZNY (PL) 2012-07-26 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 (2 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 ALDH2 3383/4885NPC1 180/4885RAB9A 1624/4885
US-20120190642-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES GAA, MAN2B1, IDUA ALDH2 3553/4885NPC1 171/4885RAB9A 1706/4885

“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.