SCHEMBL26499247

SCHEMBL26499247

O=C(c1ccccc1)c1ccc2c(c1)OCCOc1ccc(C(=O)c3ccccc3)cc1OCCO2

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.90
MAPT P10636 1/20 0.90
RAB9A P51151 6/20 0.87
NPC1 O15118 6/20 0.87
CTNNB1 P35222 2/20 0.69
ALDH1A1 P00352 1/20 0.65
SRD5A2 P31213 1/20 0.65
CNR2 P34972 1/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 2/20 0.62
PKM P14618 2/20 0.62
NFKB1 P19838 1/20 0.62
MAOB P27338 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
TSHR P16473 1/20 0.61
VNN1 O95497 1/20 0.59
HPGD P15428 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
SCHEMBL6132031 1.00 NPSR1 (0.90) NPSR1MAPTRAB9ANPC1CTNNB1
SCHEMBL26499244 0.98 NPSR1 (0.88) NPSR1MAPTRAB9ANPC1CTNNB1
SCHEMBL4158804 0.93 NPC1 (1.00) NPSR1MAPTRAB9ANPC1CTNNB1
SCHEMBL4824992 0.91 NPSR1 (0.74) NPSR1MAPTRAB9ANPC1CTNNB1
SCHEMBL7816239 0.89 SRD5A2 (0.81) NPSR1MAPTRAB9ANPC1CTNNB1
SCHEMBL6658798 0.84 MAPT (0.67) NPSR1MAPTRAB9ANPC1CTNNB1
SCHEMBL31164296 0.84 MAPT (0.67) NPSR1MAPTRAB9ANPC1SRD5A2
SCHEMBL28128979 0.83 CTNNB1 (0.70) NPSR1MAPTRAB9ANPC1CTNNB1
Dalosirvat SCHEMBL653870 0.81 CTNNB1 (1.00) MAPTRAB9ANPC1CTNNB1ALDH1A1
SCHEMBL10027735 0.81 CTNNB1 (0.82) NPSR1MAPTRAB9ANPC1CTNNB1

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-11787777-B1 Crown ether amines and methods of use PALL CORPORATION (US) 2023-10-17 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-11787777-B1 Crown ether amines and methods of use H1-2, H1-0, CNR1 NPSR1 107/4885MAPT 2228/4885RAB9A 3914/4885

“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.