SCHEMBL4566382

SCHEMBL4566382

[CH]1OCCC1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
CYP2A13 Q16696 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
ACHE P22303 1/20 0.31
GRM5 P41594 1/20 0.31
OPRL1 P41146 1/20 0.30

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
SCHEMBL25376395 0.88
SCHEMBL25373735 0.84
SCHEMBL25374094 0.84 SMN1; SMN2 (0.32) L3MBTL1SMN1; SMN2L3MBTL3
SCHEMBL25375398 0.82 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL16100073 0.77
SCHEMBL1005231 0.76 SMN1; SMN2 (0.37) L3MBTL1SMN1; SMN2L3MBTL3
SCHEMBL736051 0.71 L3MBTL1 (0.44) L3MBTL1CYP2A13ALDH1A1HPGDSMN1; SMN2
SCHEMBL2235706 0.67 L3MBTL1 (0.44) L3MBTL1CYP2A13ALDH1A1HPGDSMN1; SMN2
SCHEMBL738007 0.67 L3MBTL1 (0.40) L3MBTL1CYP2A13ALDH1A1HPGDSMN1; SMN2
SCHEMBL25377902 0.65 L3MBTL1 (0.39) L3MBTL1CYP2A13ALDH1A1HPGDSMN1; 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-11248013-B2 Tricyclic inhibitors of poly(ADP-ribose)polymerase RAKOVINA THERAPEUTICS INC. (CA) 2022-02-15 US disclosed
US-20200299315-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE RAKOVINA THERAPEUTICS INC. (CA) 2020-09-24 US disclosed
EP-2044090-A2 LUMINESCENT 1-HYDROXY-2-PYRIDINONE CHELATES OF LANTHANIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-08 EP disclosed
WO-2008008797-A2 LUMINESCENT 1-HYDROXY-2-PYRIDINONE CHELATES OF LANTHANIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-17 WO 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-11248013-B2 Tricyclic inhibitors of poly(ADP-ribose)polymerase PARP1, PARP2, PARP11 L3MBTL1 2636/4885CYP2A13 4073/4885ALDH1A1 1069/4885
US-20200299315-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 L3MBTL1 2457/4885CYP2A13 4032/4885ALDH1A1 1282/4885

“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.