SCHEMBL5136264

SCHEMBL5136264

O=C(ON1C(=O)CCC1=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.49
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 2/20 0.43
PKM P14618 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CCR6 P51684 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
CDC25B P30305 1/20 0.40

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
SCHEMBL5303474 0.85 ALDH1A1 (0.48) AKR1C3MGLLALDH1A1L3MBTL1GAA
SCHEMBL76714 0.84 KMT2A (0.48) MGLLALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL19309377 0.83 KMT2A (0.53) MGLLALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL133554 0.83 KMT2A (0.53) MGLLALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL2053460 0.81 ALDH1A1 (0.49) AKR1C3ALDH1A1L3MBTL1NPSR1CYP1A2
SCHEMBL74375 0.81 TSHR (0.49) ALDH1A1L3MBTL1NPSR1SMN1; SMN2ATM
SCHEMBL4806668 0.79 ALDH1A1 (0.46) ALDH1A1NPSR1GAASMN1; SMN2KMT2A
SCHEMBL8540066 0.79 TSHR (0.50) ALDH1A1CYP3A4GAASMN1; SMN2TDP1
SCHEMBL15169078 0.78 KMT2A (0.48) MGLLCYP2C9SMN1; SMN2TDP1KMT2A
SCHEMBL3403578 0.78 ALDH1A1 (0.51) MGLLALDH1A1L3MBTL1CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101437544-A Chemically modified polycation polymer for siRNA delivery ABBOTT LAB (US) 2009-05-20 CN disclosed
EP-1981543-A1 CHEMICALLY MODIFIED POLYCATION POLYMER FOR SIRNA DELIVERY ABBOTT LABORATORIES (US) 2008-10-22 EP disclosed
US-20080112916-A1 CHEMICALLY MODIFIED POLYCATION POLYMER FOR siRNA DELIVERY WAGNER ERNST 2008-05-15 US disclosed
US-20070231392-A1 CHEMICALLY MODIFIED POLYCATION POLYMER FOR siRNA DELIVERY ABBOTT LABORATORIES 2007-10-04 US disclosed
WO-2007084797-A1 CHEMICALLY MODIFIED POLYCATION POLYMER FOR SIRNA DELIVERY ABBOTT LABORATORIES (US) 2007-07-26 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-20070231392-A1 CHEMICALLY MODIFIED POLYCATION POLYMER FOR siRNA DELIVERY PHAX, PCBP1, PUF60 AKR1C3 4005/4885MGLL 4030/4885ALDH1A1 3701/4885
US-20080112916-A1 CHEMICALLY MODIFIED POLYCATION POLYMER FOR siRNA DELIVERY PHAX, PCBP1, PUF60 AKR1C3 4005/4885MGLL 4030/4885ALDH1A1 3701/4885

“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.