SCHEMBL22181586

SCHEMBL22181586

O=Cc1cccc(OCCOCCOCCOc2cccc(C=O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.60
MAOB P27338 7/20 0.60
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
SRC P12931 1/20 0.50
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL15426822 1.00 MAOA (0.60) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5543437 0.94 MAOA (0.66) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL29096214 0.92 MAOA (0.53) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL4748638 0.92 NPC1 (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5744908 0.92 MAOA (0.53) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL15627380 0.92 MAOA (0.53) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5255935 0.92 NPC1 (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30622749 0.92 NPC1 (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30461144 0.92 NPC1 (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL17364458 0.91 NPC1 (0.61) MAOAMAOBNPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207744-A1 DIMER COMPOUNDS, AND USE IN BINDING TOXIC REPEATS OF RNA EXPANSION THERAPEUTICS, INC. 2020-07-02 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-20200207744-A1 DIMER COMPOUNDS, AND USE IN BINDING TOXIC REPEATS OF RNA HNRNPH1, HNRNPUL2, HNRNPH3 MAOA 2928/4885MAOB 2723/4885NPC1 2794/4885

“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.