SCHEMBL2760490

SCHEMBL2760490

COc1ccccc1[C@@H](CN=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 3/20 0.41
KCNA3 P22001 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
BCHE P06276 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL10051875 0.81 L3MBTL1 (0.52) POLBL3MBTL1NPSR1NPC1KMT2A
SCHEMBL2760459 0.80 MDM2 (0.36) POLBL3MBTL1HTTNPSR1NPC1
SCHEMBL2760475 0.79 TDP1 (0.50) L3MBTL1HTTNPSR1NPC1ATM
SCHEMBL222291 0.78 NPSR1 (0.48) POLBL3MBTL1HTTNPSR1NPC1
SCHEMBL222290 0.78 NPSR1 (0.48) POLBL3MBTL1HTTNPSR1NPC1
SCHEMBL2760488 0.78 CTNNB1 (0.47) HTTNPC1RAB9ATSHR
SCHEMBL2760474 0.77 MTNR1A (0.46) POLBL3MBTL1NPC1KMT2AMEN1
SCHEMBL2760491 0.77 MDM2 (0.33) L3MBTL1HTTNPC1ATMRAB9A
SCHEMBL2760476 0.75 NPC1 (0.44) POLBL3MBTL1NPSR1NPC1KMT2A
SCHEMBL5692125 0.74 L3MBTL1 (0.58) POLBL3MBTL1HTTNPSR1NPC1

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-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 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-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST CYP2E1, CYP11B2, CYP11B1 POLB 246/4885L3MBTL1 4681/4885HTT 2660/4885

“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.