SCHEMBL2760474

SCHEMBL2760474

COc1cccc([C@@H](CN=O)C(C(=O)c2ccccc2)C(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GPR139 Q6DWJ6 4/20 0.45
TRPM8 Q7Z2W7 2/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD1 P21728 1/20 0.44

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 0.88 L3MBTL1 (0.52) L3MBTL1NPC1RAB9AMAPTMEN1
SCHEMBL2760475 0.85 TDP1 (0.50) L3MBTL1NPC1RAB9ALMNACYP3A4
SCHEMBL221513 0.80 CNR1 (0.49) MTNR1AMTNR1BL3MBTL1NPC1RAB9A
SCHEMBL221514 0.80 CNR1 (0.49) MTNR1AMTNR1BL3MBTL1NPC1RAB9A
SCHEMBL2760476 0.78 NPC1 (0.44) L3MBTL1NPC1RAB9AMAPTMEN1
SCHEMBL10052270 0.78 MEN1 (0.44) L3MBTL1NPC1RAB9AMAPTMEN1
SCHEMBL2760490 0.77 POLB (0.50) L3MBTL1NPC1RAB9AMAPTMEN1
SCHEMBL8622126 0.76 CES2 (0.61) MTNR1AMTNR1BL3MBTL1NPC1RAB9A
SCHEMBL6510993 0.76 PTGS1 (0.56) MTNR1AMTNR1BNPC1RAB9AGPR139
SCHEMBL16781980 0.76 TDP1 (0.62) MTNR1AMTNR1BL3MBTL1NPC1RAB9A

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 MTNR1A 1202/4885MTNR1B 1049/4885L3MBTL1 4681/4885

“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.