SCHEMBL6448997

SCHEMBL6448997

COC(CC([CH]C(N)=O)Cc1cccc2ccccc12)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
CTNNB1 P35222 1/20 0.43
ATM Q13315 1/20 0.40
MTNR1A P48039 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PARP10 Q53GL7 2/20 0.40
MMP9 P14780 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL6710727 0.79 L3MBTL1 (0.46) L3MBTL1CTNNB1ATMMTNR1AKDM4E
SCHEMBL6709447 0.78 CTNNB1 (0.43) L3MBTL1CTNNB1MTNR1AMAPTTHRB
SCHEMBL1284854 0.69 CTNNB1 (0.54) L3MBTL1CTNNB1MTNR1ATDP1MEN1
SCHEMBL6444804 0.69 SMN1; SMN2 (0.48) L3MBTL1CTNNB1ATMKDM4ETDP1
SCHEMBL6444654 0.69 AOC3 (0.40) L3MBTL1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1902233 0.69 ATM (0.50) L3MBTL1CTNNB1ATMMTNR1AKDM4E
SCHEMBL6018293 0.69 ATM (0.50) L3MBTL1CTNNB1ATMMTNR1AKDM4E
SCHEMBL8900559 0.69 MTNR1A (0.57) L3MBTL1CTNNB1MTNR1AMAPTTDP1
SCHEMBL15750674 0.69 CTNNB1 (0.49) L3MBTL1CTNNB1ATMKDM4ECYP1A2
SCHEMBL6447034 0.68 AOC3 (0.42) L3MBTL1KDM4ECYP1A2CYP2C19TDP1

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 L3MBTL1 2093/4885CTNNB1 1728/4885ATM 3339/4885

“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.